Fernandes, P. and Shankland, K. and David, W.I.F. and Markvardsen, A.J. and Florence, A.J. and Shankland, N. and Leech, C.K. (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
Full text not available in this repository. (Request a copy from the Strathclyde author)Abstract
Differential thermal expansion over the range 90-210 K has been applied successfully to determine the crystal structure of chlorothiazide from synchrotron powder diffraction data using direct methods. Key to the success of the approach is the use of a multi-data-set Pawley refinement to extract a set of reflection intensities that is more 'single-crystal-like' than those extracted from a single data set. The improvement in reflection intensity estimates is quantified by comparison with reference single-crystal intensities.
| Item type: | Article |
|---|---|
| ID code: | 13145 |
| Keywords: | differential thermal expansion, powder diffraction, direct methods, pawley refinement, Therapeutics. Pharmacology, Pharmacy and materia medica, Microbiology |
| Subjects: | Medicine > Therapeutics. Pharmacology Medicine > Pharmacy and materia medica Science > Microbiology |
| Department: | Faculty of Science > Strathclyde Institute of Pharmacy and Biomedical Sciences Faculty of Science > Pharmaceutical Sciences |
| Related URLs: | |
| Depositing user: | Ms Ann Barker-Myles |
| Date Deposited: | 05 Oct 2009 14:06 |
| Last modified: | 12 Mar 2012 10:56 |
| URI: | http://strathprints.strath.ac.uk/id/eprint/13145 |
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