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Application of direct methods on difference Fourier coefficients for the solution of partially known structures

Application of direct methods on difference Fourier coefficients for the solution of partially... A partially known structure, which may be a fragment of a molecule found by direct methods, can be solved completely by applying a weighted tangent refinement procedure on difference structure factors, similar to the authors' procedure for heavy-atom structures. Often the molecular fragment is found to be misplaced with respect to the symmetry elements: then, the space-group symmetry is reduced to P1, and the procedure is used to locate the symmetry elements. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography International Union of Crystallography

Application of direct methods on difference Fourier coefficients for the solution of partially known structures

Application of direct methods on difference Fourier coefficients for the solution of partially known structures


Abstract

A partially known structure, which may be a fragment of a molecule found by direct methods, can be solved completely by applying a weighted tangent refinement procedure on difference structure factors, similar to the authors' procedure for heavy-atom structures. Often the molecular fragment is found to be misplaced with respect to the symmetry elements: then, the space-group symmetry is reduced to P1, and the procedure is used to locate the symmetry elements.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1976 International Union of Crystallography
ISSN
0567-7394
DOI
10.1107/S0567739476001666
Publisher site
See Article on Publisher Site

Abstract

A partially known structure, which may be a fragment of a molecule found by direct methods, can be solved completely by applying a weighted tangent refinement procedure on difference structure factors, similar to the authors' procedure for heavy-atom structures. Often the molecular fragment is found to be misplaced with respect to the symmetry elements: then, the space-group symmetry is reduced to P1, and the procedure is used to locate the symmetry elements.

Journal

Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General CrystallographyInternational Union of Crystallography

Published: Sep 1, 1976

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