Structure determination of a steroid directly from powder diffraction data

Benson M. Kariuki; Katerina Psallidas; Kenneth D.M. Harris; Roy L. Johnston; Robert W. Lancaster; Susan E. Staniforth; Simon M. Cooper

doi:10.1039/a904702f

Structure determination of a steroid directly from powder diffraction data

Benson M. Kariuki, Katerina Psallidas, Kenneth D.M. Harris^*, Roy L. Johnston, Robert W. Lancaster, Susan E. Staniforth, Simon M. Cooper

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

64 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	1677-1678
Number of pages	2
Journal	Chemical Communications
Issue number	17
DOIs	https://doi.org/10.1039/a904702f
Publication status	Published - 7 Sept 1999

ASJC Scopus subject areas

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
Chemistry(all)
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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title = "Structure determination of a steroid directly from powder diffraction data",

abstract = "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.",

author = "Kariuki, {Benson M.} and Katerina Psallidas and Harris, {Kenneth D.M.} and Johnston, {Roy L.} and Lancaster, {Robert W.} and Staniforth, {Susan E.} and Cooper, {Simon M.}",

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T1 - Structure determination of a steroid directly from powder diffraction data

AU - Kariuki, Benson M.

AU - Psallidas, Katerina

AU - Harris, Kenneth D.M.

AU - Johnston, Roy L.

AU - Lancaster, Robert W.

AU - Staniforth, Susan E.

AU - Cooper, Simon M.

PY - 1999/9/7

Y1 - 1999/9/7

N2 - 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.

AB - 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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U2 - 10.1039/a904702f

DO - 10.1039/a904702f

M3 - Article

AN - SCOPUS:0033533449

SN - 1359-7345

SP - 1677

EP - 1678

JO - Chemical Communications

JF - Chemical Communications

IS - 17

ER -

Structure determination of a steroid directly from powder diffraction data

Abstract

ASJC Scopus subject areas

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