Structure determination of a steroid directly from powder diffraction data†

Autor: M. Kariuki, Benson, Psallidas, Katerina, D. M. Harris, Kenneth, L. Johnston, Roy, W. Lancaster, Robert, E. Staniforth, Susan, M. Cooper, Simon
Zdroj: Chemical Communications; September 7, 1999, Vol. 1999 Issue: 17 p1677-1678, 2p
Abstrakt: 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.
Databáze: Supplemental Index