## Abstract The convolution molecule method by Hoppe and Paulus yields sometimes several solutions for the orientation of the molecule. For the selection of the correct orientation a special kind of __R__ value (mean __R__ value) can give valuable information.
The exact determination of the orientation of organic molecules in crystal structures by least squares refinement of the Eulerian angles
β Scribed by Dr. L. Kutschabsky; Dr. G. Reck; Dr. H. G. Weiss
- Publisher
- John Wiley and Sons
- Year
- 1976
- Tongue
- English
- Weight
- 179 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0232-1300
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β¦ Synopsis
Abstract
A method for the exact determination of the orientation of the molecules in a crystalline organic structure by Xβray analysis is described. The Eulerian angles are refined by a special rigid body least squares procedure. The theoretical background is given.
π SIMILAR VOLUMES
Previously, it has been shown that the correlation of deuterium quadrupolar tensors by spin diffusion under slow magic-angle-spinning conditions can provide accurate measurements of their relative orientation. In the present work we apply the technique to the cyclo-b-peptide cyclo with its amide hy