Challenges in direct-space structure determination from powder diffraction data: A molecular material with four independent molecules in the asymmetric unit

David Albesa-Jové; Benson M. Kariuki; Simon J. Kitchin; Leanne Grice; Eugene Y. Cheung; Kenneth D.M. Harris

Journal ArticleOPEN ACCESS

Challenges in direct-space structure determination from powder diffraction data: A molecular material with four independent molecules in the asymmetric unit

Albesa-Jové D
Kariuki B
Kitchin S
et al.

ChemPhysChem (2004) 5(3) 414-418

DOI: 10.1002/cphc.200301078

64Citations

32Readers

Abstract

Complex structure from powder diffraction: The direct-space strategy for carrying out structure solution directly from powder X-ray diffraction data has been applied successfully in the challenging case of a molecular cocrystal (see graphic) containing four independent molecules in the asymmetric unit.

Author supplied keywords

Direct-space techniques
Genetic algorithms
Hydrogen bonds
Structure elucidation
X-ray diffraction

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APA

Albesa-Jové, D., Kariuki, B. M., Kitchin, S. J., Grice, L., Cheung, E. Y., & Harris, K. D. M. (2004). Challenges in direct-space structure determination from powder diffraction data: A molecular material with four independent molecules in the asymmetric unit. ChemPhysChem, 5(3), 414–418. https://doi.org/10.1002/cphc.200301078

Challenges in direct-space structure determination from powder diffraction data: A molecular material with four independent molecules in the asymmetric unit

Abstract

Author supplied keywords

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