Routine determination of molecular crystal structures from powder diffraction data
- 1 January 1998
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- No. 8,p. 931-932
- https://doi.org/10.1039/a800855h
Abstract
The state of the art in determining molecular crystal structures from powder diffraction data using a global optimisation method is illustrated with a fast, automated simulated annealing approach to solving the previously unknown crystal structures of capsaicin, thiothixene and promazine hydrochloride.Keywords
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