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Challenges in Direct‐Space Structure Determination from Powder Diffraction Data: A Molecular Material with Four Independent Molecules in the Asymmetric Unit
Author(s) -
AlbesaJové David,
Kariuki Benson M.,
Kitchin Simon J.,
Grice Leanne,
Cheung Eugene Y.,
Harris Kenneth D. M.
Publication year - 2004
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200301078
Subject(s) - cocrystal , powder diffraction , molecule , diffraction , crystallography , unit (ring theory) , x ray crystallography , space group , space (punctuation) , chemistry , materials science , physics , organic chemistry , hydrogen bond , optics , computer science , mathematics , mathematics education , operating system
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.