Routine determination of molecular crystal structures from powder diffraction data

被引：269

作者：

David, WIF ^{[1
]}

Shankland, K

Shankland, N

机构：

[1] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England

[2] Univ Strathclyde, Dept Pharmaceut Sci, Glasgow G1 1XW, Lanark, Scotland

来源：

CHEMICAL COMMUNICATIONS | 1998年 / 08期

关键词：

D O I：

10.1039/a800855h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：931 / 932

页数：2

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