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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.
Original language | English |
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Pages (from-to) | 1089-1094 |
Number of pages | 5 |
Journal | Journal of Applied Crystallography |
Volume | 41 |
Issue number | 6 |
DOIs | |
Publication status | Published - 2008 |
Keywords
- differential thermal expansion
- powder diffraction
- direct methods
- pawley refinement
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Projects
- 1 Finished