Structure determination of a steroid directly from powder diffraction data

被引：68

作者：

Kariuki, BM

Psallidas, K

Harris, KDM ^{[1
]}

Johnston, RL

Lancaster, RW

Staniforth, SE

Cooper, SM

机构：

[1] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England

[2] Glaxo Wellcome Res & Dev Ltd, Stevenage SG1 2NY, Herts, England

来源：

CHEMICAL COMMUNICATIONS | 1999年 / 17期

关键词：

D O I：

10.1039/a904702f

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We report the determination of the crystal structure of a new polymorph of the pharmaceutical material fluticasone propionate, which is obtained as a microcrystalline powder by a supercritical crystallization procedure; the structure was solved directly from powder diffraction data using our Genetic Algorithm technique (in which a population of trial structures evolves through well-defined procedures for mating, mutation and natural selection) and refined using Rietveld refinement techniques.

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收藏

页码：1677 / 1678

页数：2

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