Kenneth Shankland

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+44 (0) 118 378 5089
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Professor of Pharmaceutical Crystallography
- Lead for Pharmaceutical Calculations in the MPharm course
- Exams Officer for CIPPET, Physician Associate programmes and MSc by Research
Areas of interest
Kenneth's main scientific interests lie in the area of structures and transformations in pharmaceutical materials and he is heavily involved in software development for crystallographic analysis of these and other systems. His work with Prof. Bill David of the STFC Rutherford Appleton Lab on the subject of global optimisation strategies for the structure determination of molecular materials from powder diffraction data led to the publication of several key papers in the field and ultimately to the production of the DASH software package. DASH was marketed to both academic and industrial users for 20 years by the Cambridge Crystallographic Data Centre, but is now available as an open-source package.
His underlying interest in the use of computing methodologies to further this work has seen particular utility in the development of highly parallelised versions of DASH and other closely-related codes such as GALLOP that run on distributed computing systems, including cloud services. He is an expert user of the CAF's X-ray powder and single-crystal diffractometers. He is a member International Union of Crystallography’s Meeting Support Committee and wrote a key chapter on powder diffraction for the IUCr’s International Tables Volume H. He was also a co-director of the IUCr’s prestigious "The Power of Powder Diffraction" Crystallography Course at Erice in June 2011.He currently has two PhD students working in the area of crystal structure determination, on materials as diverse as pharmaceuticals, foodstuffs and framework materials. He has an h-index of 36, and 9 of his 178 scientific publications have been cited more than 100 times. His key paper on the workings of DASH has been cited over 470 times.
Background
Kenneth graduated BSc (Hons 1st Class) in Pharmacy from University of Strathclyde in 1985 and qualified as a pharmacist the following year, having completed his pre-registration training at Stobhill Hospital in Glasgow. He returned to Strathclyde for his PhD work on the use of laser light scattering for characterising nanoparticle size distributions before changing fields to crystallography for his PDRA at the University of Glasgow. In 1994 he moved South to take up an appointment as a Higher Scientific Officer at the ISIS Facility of the Rutherford Appleton Lab in Oxfordshire, where he stayed for 15 years, finishing up as Group Leader for the Data Analysis Group. He then took up an appointment as Reader in Pharmacy at University of Reading, where he is a currently a Professor and a Senior Fellow of the Higher Education Authority.
Websites/blogs
- Books: Co-editor of "Structure Determination from Powder Diffraction Data" International Union of Crystallography Monographs on Crystallography, 13. More than 1000 copies sold.
- Books: Co-editor of “Uniting Electron Crystallography and Powder Diffraction”, Springer. Accessed online more than 79,000 times.
Publications
- Hibbard, T. , Shankland, K. , Al-Obaidi, H. (2023) Evaluation of two and three fluid nozzle spray drying to prepare co-crystals of salicylic acid and caffeine with improved physicochemical propertiess. Journal of Drug Delivery Science and Technology , 89 ISSN: 1773-2247 | doi: https://dx.doi.org/10.1016/j.jddst.2023.105073
- Hibbard, T. , Mitchell, H. , Kim, Y. , Shankland, K. , Al-Obaidi, H. (2023) Spray dried progesterone formulations for carrier free dry powder inhalation. European Journal of Pharmaceutics and Biopharmaceutics , 189 pp. 264-275. ISSN: 0939-6411 | doi: https://dx.doi.org/10.1016/j.ejpb.2023.06.018
- Lin, Q. , Lan, H. , Ma, C. , Stendall, R. , Shankland, K. , Musgrave, R. , Horton, P. , Baldaug, C. , Hofmann, H. , Butts, C. , Müller, M. , Cobb, A. (2023) Crystal structure and NMR of an α,δ‐peptide foldamer helix shows side-chains are well placed for bifunctional catalysis : application as a minimalist aldolase mimic. Angewandte Chemie International Edition ISSN: 1433-7851 | doi: https://dx.doi.org/10.1002/anie.202305326
- Hibbard, T. , Nyambura, B. , Scholes, P. , Totolici, M. , Shankland, K. , Al-Obaidi, H. (2023) Preparation and physiochemical analysis of novel ciprofloxacin / dicarboxylic acid salts. Journal of Pharmaceutical Sciences , 112 (1). pp. 195-203. ISSN: 0022-3549 | doi: https://dx.doi.org/10.1016/j.xphs.2022.08.008
- Alvarez-Dorta, D. , Leon, E. , Martin, A. , Kennedy, A. , Perez-Martin, I. , Shankland, K. , Suarez, E. (2022) Regio- and stereoselectivity of the Norrish−Yang photocyclization of Dialkyl 1,2-Diketones: solution versus solid state photochemistry of two polymorphS. Journal of Organic Chemistry , 87 (21). pp. 14940-14947. ISSN: 0022-3263 | doi: https://dx.doi.org/10.1021/acs.joc.2c01855
- Spillman, M. , Shankland, N. , Shankland, K. (2022) An efficient treatment of ring conformations during molecular crystal structure determination from powder diffraction data. CrystEngComm , 24 (25). pp. 4551-4555. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/D2CE00520D
- Kabova, E. , Blundell, C. , Muryn, C. , Whitehead, G. , Vitorica-Yrezabal, I. , Ross, M. , Shankland, K. (2022) SDPD-SX: combining a single crystal X-ray diffraction setup with advanced powder data structure determination for use in early stage drug discovery. CrystEngComm , 24 (24). pp. 4337-4340. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/D2CE00387B
- Bryant, L. , Shankland, K. , Straker, H. , Johnston, C. , Lees, N. , Cobb, A. (2021) Enantioselective organocatalytic synthesis of bicyclic resorcinols via an intramolecular Friedel-Crafts-type 1,4-addition: access to cannabidiol analogues. Advanced Synthesis and Catalysis , 363 (16). pp. 4067-4074. ISSN: 1615-4169 | doi: https://dx.doi.org/10.1002/adsc.202100647
- Spillman, M. and Shankland, K. (2021) GALLOP: accelerated molecular crystal structure determination from powder diffraction data. CrystEngComm ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/D1CE00978H
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Beamish-Cook, J.
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Shankland, K.
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Murray, C.
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Vaqueiro, P.
ORCID: 0000-0001-7545-6262 (2021) Insights into the mechanochemical synthesis of MOF-74. Crystal Growth & Design , 21 (5). pp. 3047-3055. ISSN: 1528-7483 | doi: https://dx.doi.org/10.1021/acs.cgd.1c00213
- Parker, S. , Funnell, N. , Shankland, K. , Kabova, E. , Häußner, T. , Hasselback, H. , Braune, S. , Kobler, C. , Albers, P. (2021) Structure and spectroscopy of methionyl-methionine for aquaculture. Scientific Reports , 11 ISSN: 2045-2322 | doi: https://dx.doi.org/10.1038/s41598-020-80385-z
- Townsend, D. , Shankland, K. , Weymouth-Wilson, A. , Komsta, Z. , Evans, T. , Cobb, A. (2020) Synthesis of an intriguing steroidal constitutional isomer. Tetrahedron Letters , 61 (23). ISSN: 0040-4039 | doi: https://dx.doi.org/10.1016/j.tetlet.2020.151942
- Townsend, D. , Shankland, K. , Weymouth-Wilson, A. , Komsta, Z. , Evans, T. , Cobb, A. (2020) Highly enantioselective, organocatalytic and scalable synthesis of a rare cis-cis-tricyclic diterpenoid. Chemistry- A European Journal , 26 (16). pp. 3504-3508. ISSN: 1521-3765 | doi: https://dx.doi.org/10.1002/chem.202000164
- Al Rahal, O. , Majumder, M. , Spillman, M. , van de Streek, J. , Shankland, K. (2020) Co-crystal structures of furosemide:urea and carbamazepine:indomethacin determined from powder x-ray diffraction data. Crystals , 10 (1). pp 0. ISSN: 2073-4352 | doi: https://dx.doi.org/10.3390/cryst10010042
- Fanelli, R. , Berta, D. , Foldes, T. , Rosta, E. , Atkinson, R. , Hofmann, H. , Shankland, K. , Cobb, A. (2020) Organocatalytic access to a cis-Cyclopentyl-gamma-amino acid: an intriguing model of selectivity and formation of a stable 10/12-helix from the corresponding gamma/alpha-peptide. Journal of the American Chemical Society , 142 (3). pp. 1382-1393. ISSN: 1520-5126 | doi: https://dx.doi.org/10.1021/jacs.9b10861
- Schweicher, G. , D'Avino, G. , Ruggiero, M. , Harkin, D. , Broch, K. , Venkateshvaran, D. , Liu, G. , Richard, A. , Ruzié, C. , Armstrong, J. , Kennedy, A. , Shankland, K. , Takimiya, K. , Geerts, Y. , Zeitler, J. , Fratini, S. , Sirringhaus, H. (2019) Chasing the ‘killer’ phonon mode for the rational design of low disorder, high mobility molecular semiconductors. Advanced Materials , 31 (43). ISSN: 0935-9648 | doi: https://dx.doi.org/10.1002/adma.201902407
- Nicholls, D. , Elleman, C. , Shankland, N. , Shankland, K. (2019) A new crystalline form of αβ-D-lactose prepared by oven drying a concentrated aqueous solution of D-lactose. Acta Crystallographica Section C - Crystal Structure Communications , 75 (7). pp. 904-909. ISSN: 1600-5759 | doi: https://dx.doi.org/10.1107/S2053229619008210
- Salimi, S. , Hart, L. , Feula, A. , Hermida-Merino, D. , Touré, A. , Kabova, E. , Ruiz-Cantu, L. , Irvine, D. , Wildman, R. , Shankland, K. , Hayes, W. (2019) Property enhancement of healable supramolecular polyurethanes. European Polymer Journal , 118 pp. 88-96. ISSN: 0014-3057 | doi: https://dx.doi.org/10.1016/j.eurpolymj.2019.05.042
- Cobb, A. , Dell’Isola, A. , Abdulsattar, B. , McLachlan, M. , Neuman, B. , Müller, C. , Shankland, K. , Al-Mulla, H. , Binks, A. , Elvidge, W. (2018) Synthesis and antiviral activity of novel spirocyclic nucleosides. New Journal of Chemistry , 42 (22). pp. 18363-18380. ISSN: 1144-0546 | doi: https://dx.doi.org/10.1039/c8nj02777c
- Gadd, A. , Castelletto, V. , Kabova, E. , Shankland, K. , Perrie, Y. , Hamley, I. , Cobb, A. , Greco, F. , Edwards, A. (2018) High potency of lipid conjugated TLR7 agonist requires nanoparticulate or liposomal formulation. European Journal of Pharmaceutical Sciences , 123 pp. 268-276. ISSN: 0928-0987 | doi: https://dx.doi.org/10.1016/j.ejps.2018.07.048
- Kabova, E. , Blundell, C. , Shankland, K. (2018) Pushing the limits of molecular crystal structure determination from powder diffraction data in high-throughput chemical environments. Journal of Pharmaceutical Sciences , 107 (8). pp. 2042-2047. ISSN: 0022-3549 | doi: https://dx.doi.org/10.1016/j.xphs.2018.04.010
- Nicholls, D. , Shankland, K. , Spillman, M. , Elleman, C. (2018) Rietveld-based quantitative phase analysis of sugars in confectionery. Food Analytical Methods , 11 (10). pp. 2673-2681. ISSN: 1936-976X | doi: https://dx.doi.org/10.1007/s12161-018-1243-9
- Nillson Lill, S. , Widdifield, C. , Pettersen, A. , Ankarberg, A. , Lindkvist, M. , Aldred, P. , Gracin, S. , Shankland, N. , Shankland, K. , Schantz, S. , Emsley, L. (2018) Elucidating an amorphous form stabilization mechanism of tenapanor hydrochloride: crystal structure analysis using Xray diffraction, NMR crystallography and molecular modelling. Molecular Pharmaceutics , 15 (4). pp. 1476-1487. ISSN: 1543-8392 | doi: https://dx.doi.org/10.1021/acs.molpharmaceut.7b01047
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Parker, J.
ORCID: 0000-0003-4121-5481 , Lignou, S. , Shankland, K. , Kurwie, P. , Griffiths, H. , Baines, D. (2018) Development of a technology for reducing polycyclic aromatic hydrocarbons in smoked food and smoked ingredients. Journal of Agricultural and Food Chemistry , 66 (10). pp. 2449-2458. ISSN: 0021-8561 | doi: https://dx.doi.org/10.1021/acs.jafc.6b05399
- Kabova, E. , Cole, J. , Korb, O. , Williams, A. , Shankland, K. (2017) Improved crystal structure solution from powder diffraction data by the use of conformational information. Journal of Applied Crystallography , 50 pp. 1421-1427. ISSN: 0021-8898 | doi: https://dx.doi.org/10.1107/S1600576717012596
- Kabova, E. , Cole, J. , Korb, O. , López-Ibáñez, M. , Williams, A. , Shankland, K. (2017) Improved performance of crystal structure solution from powder diffraction data through parameter tuning of a simulated annealing algorithm. Journal of Applied Crystallography , 50 pp. 1411-1420. ISSN: 0021-8898 | doi: https://dx.doi.org/10.1107/S1600576717012602
- Ravishankar, D. , Salamah, M. , Attina, A. , Pothi, R. , Vallance, T. , Javed, M. , Williams, H. , Alzahrani, E. , Kabova, E. , Vaiyapuri, R. , Shankland, K. , Gibbins, J. , Strohfeldt, K. , Greco, F. , Osborn, H. , Vaiyapuri, S. (2017) Ruthenium-conjugated chrysin analogues modulate platelet activity, thrombus formation and haemostasis with enhanced efficacy. Scientific Reports , 7 ISSN: 2045-2322 | doi: https://dx.doi.org/10.1038/s41598-017-05936-3
- Al-Ani, W. , Shankland, K. , Cobb, A. (2016) Asymmetric organocatalytic synthesis of cyclopentane γ-nitroketones. Synlett , 27 (1). pp. 17-20. ISSN: 0936-5214 | doi: https://dx.doi.org/10.1055/s-0035-1560504
- Spillman, M. , Shankland, K. , Williams, A. , Cole, J. (2015) CDASH: a cloud-enabled program for structure solution from powder diffraction data. Journal of Applied Crystallography , 48 (6). pp. 2033-2039. ISSN: 0021-8898 | doi: https://dx.doi.org/10.1107/S160057671502049X
- Aitken, L. , Hammond, L. , Sundaram, R. , Shankland, K. , Brown, G. , Cobb, A. (2015) Asymmetric cyclopropanation of conjugated cyanosulfones using a novel cupreine organocatalyst: rapid access to d3-amino acids. Chemical Communications , 51 (70). pp. 13558-13561. ISSN: 1359-7345 | doi: https://dx.doi.org/10.1039/c5cc05158d
- Warzecha, M. , Calvo-Castro, J. , Kennedy, A. , Macpherson, A. , Shankland, K. , Shankland, N. , McLean, A. , McHugh, C. (2015) Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films: exploring the role of structural order and morphology on thin film properties and fluorescence quenching efficiency. Chemical Communications , 51 (6). pp. 1143-1146. ISSN: 1359-7345 | doi: https://dx.doi.org/10.1039/c4cc08468c
- Mazzeo, P. , Maini, L. , Petrolati, A. , Fattori, V. , Shankland, K. , Braga, D. (2014) Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state. Dalton Transactions , 43 (25). pp. 9448-9455. ISSN: 1364-5447 | doi: https://dx.doi.org/10.1039/c4dt00218k
- Arlin, J. , Bhardwaj, R. , Johnston, A. , Miller, G. , Bardin, J. , MacDougall, F. , Fernandes, P. , Shankland, K. , David, W. , Florence, A. (2014) Structure and stability of two polymorphs of creatine and its monohydrate. Crystengcomm , 16 (35). pp. 8197-8204. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/c4ce00508b
- Dell'Isola, A. , McLachlan, M. , Neuman, B. , Al-Mullah, H. , Binks, A. , Elvidge, W. , Shankland, K. , Cobb, A. (2014) Synthesis and antiviral properties of spirocyclic [1,2,3]-triazolooxazine nucleosides. Chemistry- A European Journal , 20 (37). pp. 11685-11689. ISSN: 0947-6539 | doi: https://dx.doi.org/10.1002/chem.201403560
- Shankland, K. , Spillman, M. , Kabova, E. , Edgeley, D. , Shankland, N. (2013) The principles underlying the use of powder diffraction data in solving pharmaceutical crystal structures. Acta Crystallographica Section C - Crystal Structure Communications , 69 (11). pp. 1251-1259. ISSN: 1600-5759 | doi: https://dx.doi.org/10.1107/S0108270113028643
- Buist, A. , Kennedy, A. , Shankland, K. , Shankland, N. , Spillman, M. (2013) Salt forms of Amides: protonation and polymorphism of Carbamazepine and Cytenamide. Crystal Growth & Design , 13 (11). pp. 5121-5127. ISSN: 1528-7483 | doi: https://dx.doi.org/10.1021/cg401341y
- Majumder, M. , Buckton, G. , Rawlinson, C. , Williams, A. , Spillman, M. , Pidcok, E. , Shankland, K. (2013) Application of hydrogen-bond propensity calculations to an indomethacin–nicotinamide (1:1) co-crystal. CrystEngComm , 15 pp. 4041-4044. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/c3ce40367j
- Smart, P. , Mason, C. , Loader, J. , Meijer, A. , Florence, A. , Shankland, K. , Fletcher, A. , Thompson, S. , Brunelli, M. , Hill, A. , Brammer, L. (2013) Zipping and unzipping of a paddlewheel metal-organic framework to enable two-step synthetic and structural transformation. Chemistry- A European Journal , 19 (11). pp. 3552-3557. ISSN: 1521-3765 | doi: https://dx.doi.org/10.1002/chem.201204492
- Rajkumar, S. , Shankland, K. , Goodman, J. , Cobb, A. (2013) Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers. Organic Letters , 15 (6). pp. 1386-1389. ISSN: 1523-7060 | doi: https://dx.doi.org/10.1021/ol400356k
- Arlin, J. , Kennedy, A. , Shankland, K. (2012) Magnesium, calcium and strontium salts of phenylacetic acid. Acta Crystallographica Section C Crystal Structure Communications , 68 pp. M29-M33. ISSN: 0108-2701 | doi: https://dx.doi.org/10.1107/S0108270111055284
- Rajkumar, S. , Shankland, K. , Brown, G. , Cobb, A. (2012) Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction. Chemical Science , 3 pp. 584-588. ISSN: 1478-6524 | doi: https://dx.doi.org/10.1039/C1SC00592H
- Majumder, M. , Buckton, G. , Rawlinson-Malone, C. , Williams, A. , Spillman, M. , Shankland, N. , Shankland, K. (2011) A carbamazepine-indomethacin (1 : 1) cocrystal produced by milling. Crystengcomm , 13 (21). pp. 6327-6328. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/c1ce05650f
- Majumder, M. , Buckton, G. , Rawlinson-Malone, C. , Williams, A. , Spillman, M. , Shankland, N. , Shankland, K. (2011) A carbamazepine-indomethacin (1:1) cocrystal produced by milling. Crystengcomm , 13 (21). pp. 6327-6328. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/c1ce05650f
- Thomas, L. , Craig, G. , Gutmann, M. , Parkin, A. , Shankland, K. , Wilson, C. (2011) Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine . CrystEngComm , 13 (10). pp. 3349-3354. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/c1ce05139c
- Markvardsen, A. , Puphaiboon, K. , Arjeneh, M. , Shankland, K. , Guest, H. , Griffin, T. , Badham, D. , Flannery, D. (2010) Jpowder: a Java-based program for the display and examination of powder diffraction data. Journal of Applied Crystallography , 43 (6). pp. 1532-1534. ISSN: 1600-5767 | doi: https://dx.doi.org/10.1107/S0021889810041543
- Minguez Espallargas, G. , van de Streek, J. , Fernandes, P. , Florence, A. , Brunelli, M. , Shankland, K. , Brammer, L. (2010) Mechanistic insights into a gas–solid reaction in molecular crystals: the role of hydrogen bonding. Angewandte Chemie International Edition , 49 (47). pp. 8892-8896. ISSN: 1433-7851 | doi: https://dx.doi.org/10.1002/anie.201003265
- Nodes, W. , Shankland, K. , Rajkumar, S. , Cobb, A. (2010) Asymmetric phase-transfer-catalyzed synthesis of five-membered cyclic gamma-Amino acid precursors. Synlett , 2010 (20). pp. 3011-3014. ISSN: 1437-2096 | doi: https://dx.doi.org/10.1055/s-0030-1259050
- Oswald, I. , Lennie, A. , Pulham, C. , Shankland, K. (2010) High-pressure structural studies of the pharmaceutical, chlorothiazide. Crystengcomm , 12 (9). pp. 2533-2540. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/c001355b
- Shankland, K. , Markvardsen, A. , Rowlatt, C. , Shankland, N. , David, W. (2010) A benchmark method for global optimization problems in structure determination from powder diffraction data. Journal of Applied Crystallography , 43 (3). pp. 401-406. ISSN: 0021-8898 | doi: https://dx.doi.org/10.1107/S0021889810008113
- Billinge, S. , Dykhne, T. , Juhas, P. , Bozin, E. , Taylor, R. , Florence, A. , Shankland, K. (2010) Characterisation of amorphous and nanocrystalline molecular materials by total scattering. Crystengcomm , 12 (5). pp. 1366-1368. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/b915453a
- Parker, S. , Refson, K. , Tavender, S. , Albers, P. , Hannebauer, B. , Janik, M. , Muller, A. , Martens, J. , Watzke, M. , Shankland, K. , Leech, C. , Offermanns, H. (2009) Vibrational spectroscopy of a compound with a CS7 ring. Journal of Raman Spectroscopy , 40 (6). pp. 703-708. ISSN: 0377-0486 | doi: DOI:10.1002/jrs.2270
- Martins, D. , Middlemiss, D. , Pulham, C. , Wilson, C. , Weller, M. , Henry, P. , Shankland, N. , Shankland, K. , Marshall, W. , Ibberson, R. , Knight, K. , Moggach, S. , Brunelli, M. , Morrison, C. (2009) Temperature- and Pressure-induced Proton Transfer in the 1:1 Adduct Formed between Squaric Acid and 4,4 '-Bipyridine. Journal of the American Chemical Society , 131 (11). pp. 3884-3893. ISSN: 0002-7863 | doi: DOI:10.1021/ja8082973
- Griffin, T. , Shankland, K. , van de Streek, J. , Cole, J. (2009) MDASH: a multi-core-enabled program for structure solution from powder diffraction data. Journal of Applied Crystallography , 42 (2). pp. 360-361. ISSN: 0021-8898 | doi: DOI:10.1107/S0021889809006852
- Griffin, T. , Shankland, K. , van de Streek, J. , Cole, J. (2009) GDASH: a grid-enabled program for structure solution from powder diffraction data. Journal of Applied Crystallography , 42 (2). pp. 356-359. ISSN: 0021-8898 | doi: DOI:10.1107/S0021889809006840
- Espallargas, G. , Zordan, F. , Marin, L. , Adams, H. , Shankland, K. , van de Streek, J. , Brammer, L. (2009) Rational modification of the hierarchy of intermolecular interactions in molecular crystal structures by using tunable halogen bonds. Chemistry - A European Journal , 15 (31). pp. 7554-7568. ISSN: 0947-6539 | doi: https://dx.doi.org/10.1002/chem.200900410
- David, . and Shankland, . (2008) Structure determination from powder diffraction data. Acta Crystallographica Section A , 64 (1). pp. 52-64. ISSN: 0108-7673 | doi: https://dx.doi.org/10.1107/S0108767307064252
- Fernandes, P. , Florence, A. , Fabbiani, F. , David, W. , Shankland, K. (2008) Urea-N,N-dimethylacetamide (1/1). Acta Crystallographica Section E: Structure Reports Online , 64 (2). pp. o355. ISSN: 1600-5368 | doi: https://dx.doi.org/10.1107/S1600536807067232
- Fernandes, . , Shankland, . , David, . , Markvardsen, . , Florence, . , Shankland, . , Leech, . (2008) A differential thermal expansion approach to crystal structure determination from powder diffraction data. Journal of Applied Crystallography , 41 (6). pp. 1089-1094. ISSN: 0021-8898 | doi: https://dx.doi.org/10.1107/S0021889808030872
- Florence, . , Bedford, . , Fabbiani, . , Shankland, . , Gelbrich, . , Hursthouse, . , Shankland, . , Johnston, . , Fernandes, . (2008) Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue. Crystengcomm , 10 (7). pp. 811-813. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/b719717a
- Florence, . , Shankland, . , Gelbrich, . , Hursthouse, . , Shankland, . , Johnston, . , Fernandes, . , Leech, . (2008) A catemer-to-dimer structural transformation in cyheptamide. Crystengcomm , 10 (1). pp. 26-28. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/b712547j
- Janbon, . , Davey, . , Shankland, . (2008) The crystal structure of a metastable polymorph of para-azoxyanisole. Crystengcomm , 10 (3). pp. 279-282. ISSN: 1466-8033 | doi: https://dx.doi.org/10.1039/b715934j
- Johnston, A. , Florence, A. , Fabbiani, F. , Shankland, K. , Bedford, C. (2008) Cytenamide-1,4-dioxane (2/1). Acta Crystallographica Section E: Structure Reports Online , 64 (7). pp. o1345-o1346. ISSN: 1600-5368 | doi: https://dx.doi.org/10.1107/S1600536808018709
- Johnston, A. , Florence, A. , Fabbiani, F. , Shankland, K. , Bedford, C. (2008) Cytenamide-butyric acid (1/1). Acta Crystallographica Section E: Structure Reports Online , 64 (7). pp. o1295-o1296. ISSN: 1600-5368 | doi: https://dx.doi.org/10.1107/S1600536808018059
- Johnston, A. , Florence, A. , Fabianni, F. , Shankland, K. , Bedford, C. (2008) Cytenamide acetic acid solvate. Acta Crystallographica Section E: Structure Reports Online , 64 (6). pp. o1175. ISSN: 1600-5368 | doi: https://dx.doi.org/10.1107/S160053680801550X
- Johnston, A. , Florence, A. , Fabianni, F. , Shankland, K. , Bedford, C. , Bardin, J. (2008) Cytenamide trifluoroacetic acid solvate. Acta Crystallographica Section E: Structure Reports Online , 64 (7). pp. o1215-o1216. ISSN: 1600-5368 | doi: https://dx.doi.org/10.1107/S1600536808016577
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