Centrosymmetric and pseudo-centrosymmetric structures refined as non-centrosymmetric

Flack, H.D.; Bernardinelli, G.; Clemente, D.A.; Linden, A.; Spek, A.L.

doi:10.1107/S0108768106021884

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 1
Log(u) versus Rescat for 28 pseudocentrosymmetric crystal structures measured with a Friedel coverage of 100%. Point 1: u = 0.1, Rescat = 80 with the upper (darker) band for enantiopure compounds; point 2: u = 0.04, Rescat = 160 with the lower (lighter) band for the general case, are useful for prediction and evaluation.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 62| Part 5| September 2006| Pages 695-701

doi:10.1107/S0108768106021884

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