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Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction

โœ Scribed by Andrei V. Kazantsev; Panagiotis G. Karamertzanis; Claire S. Adjiman; Constantinos C. Pantelides; Sarah L. Price; Peter T.A. Galek; Graeme M. Day; Aurora J. Cruz-Cabeza

Book ID
113655517
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
620 KB
Volume
418
Category
Article
ISSN
0378-5173

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โœ Watkin, David J. ;Motherwell, W. D. S. ;Copper, Richard I. ;Pantos, Stefan ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› International Union of Crystallography ๐ŸŒ English โš– 414 KB

Single-crystal X-ray study T = 150 K Mean '(CยฑC) = 0.002 A รŠ R factor = 0.051 wR factor = 0.095 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.