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Combination of the convolution molecule method and the mean R value for the determination of the orientation of organic molecules in crystal structures

✍ Scribed by Dr. G. Reck; Dr. L. Kutschabsky; Chr. Krause

Publisher
John Wiley and Sons
Year
1975
Tongue
English
Weight
213 KB
Volume
10
Category
Article
ISSN
0232-1300

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✦ Synopsis

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.

πŸ“œ SIMILAR VOLUMES

The exact determination of the orientati
The exact determination of the orientation of organic molecules in crystal structures by least squares refinement of the Eulerian angles
✍ Dr. L. Kutschabsky; Dr. G. Reck; Dr. H. G. Weiss πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 179 KB πŸ‘ 2 views

## Abstract A method for the exact determination of the orientation of the molecules in a crystalline organic structure by X‐ray analysis is described. The Eulerian angles are refined by a special rigid body least squares procedure. The theoretical background is given.

A new method for the determination of th
A new method for the determination of the orientation of molecules in the unit cell
✍ Dr. G. Reck; Dr. L. Kutschabsky πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 310 KB πŸ‘ 1 views

## Abstract A new method for the determination of the orientation of organic molecules with partially known stereochemistry in the unit cell is described and compared with the convolution molecule method by Hoppe and Paulus.

Determination of the rΞ± structures of et
Determination of the rΞ± structures of ethylene and 1,1-difluoroethylene by NMR of partially oriented molecules allowing for correlated deformation
✍ R Wasser; P Diehl πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 386 KB

The r, structures of ethylene and 1,l-difluoroethylene have been determined by NMR of partially oriented molecules, considering the interaction between the solute molecule and the liquid crystal solvent which leads to a correlation between molecular vibration and rotation. The analysis of the data a