An experimental “primary extinction” correction for electron diffraction intensities: improved phase determination in organic crystal structure analysis

1992 ◽  
Vol 41 (4) ◽  
pp. 349-357 ◽  
Author(s):  
Douglas L. Dorset
Keyword(s):  
Crystal Structure ◽  
Electron Diffraction ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Organic Crystal ◽  
Phase Determination ◽  
Primary Extinction

scholarly journals Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data

2012 ◽  
Vol 68 (2) ◽  
pp. 171-181 ◽  
Author(s):  
Tatiana E. Gorelik ◽  
Jacco van de Streek ◽  
Andreas F. M. Kilbinger ◽  
Gunther Brunklaus ◽  
Ute Kolb
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Electron Diffraction ◽  
Ab Initio ◽  
Structure Analysis ◽  
Diffraction Data ◽  
Crystal Structure Analysis ◽  
Electron Diffraction Data ◽  
Perfect Agreement ◽  
Bonding Scheme

Ab-initio crystal structure analysis of organic materials from electron diffraction data is presented. The data were collected using the automated electron diffraction tomography (ADT) technique. The structure solution and refinement route is first validated on the basis of the known crystal structure of tri-p-benzamide. The same procedure is then applied to solve the previously unknown crystal structure of tetra-p-benzamide. In the crystal structure of tetra-p-benzamide, an unusual hydrogen-bonding scheme is realised; the hydrogen-bonding scheme is, however, in perfect agreement with solid-state NMR data.

Extinction-corrected mean thickness and integral width used in the programUMWEG98

2000 ◽  
Vol 33 (2) ◽  
pp. 330-333 ◽  
Author(s):  
Elisabeth Rossmanith
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Integral Width ◽  
Upper Limit ◽  
Primary Extinction ◽  
Spherical Crystals

The kinematical upper limit of the extinction-corrected mean thickness as well as the corresponding integral width of the intensity profiles are estimated for spherical crystals. The new expression for the primary-extinction correction is compared with expressions given recently in the literature as well as with those widely used in crystal structure analysis.

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