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Solving Larger Molecular Crystal Structures from Powder Diffraction Data by Exploiting Anisotropic Thermal Expansion
Author(s) -
Brunelli Michela,
Wright Jonathan P.,
Vaughan Gavin B. M.,
Mora Asiloe J.,
Fitch Andrew N.
Publication year - 2003
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200250607
Subject(s) - anisotropy , diffraction , thermal expansion , powder diffraction , thermal , sample (material) , crystal structure , crystallography , x ray crystallography , materials science , crystal (programming language) , quality (philosophy) , computer science , physics , optics , chemistry , thermodynamics , composite material , programming language , quantum mechanics
Crystal clear! The routine collection of near single‐crystal‐quality diffraction data from a powdered sample is possible by exploiting the anisotropic thermal expansion of a molecular solid to enhance the extraction of diffracted intensities from a heavily overlapped powder diffraction pattern. The method is validated by the solution of the structure of 9‐ethylbicyclo[3.3.1]nona‐9‐ol (see picture, O red, C blue, H gray) which is 50 % larger than other structures solved in a comparable way.
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