Absolute refinement of crystal structures by X-ray phase measurements

Author:

Morelhão Sérgio L.,Amirkhanyan Zohrab G.,Remédios Cláudio M. R.

Abstract

A pair of enantiomer crystals is used to demonstrate how X-ray phase measurements provide reliable information for absolute identification and improvement of atomic model structures. Reliable phase measurements are possible thanks to the existence of intervals of phase values that are clearly distinguishable beyond instrumental effects. Because of the high susceptibility of phase values to structural details, accurate model structures were necessary for succeeding with this demonstration. It shows a route for exploiting physical phase measurements in the crystallography of more complex crystals.

Publisher

International Union of Crystallography (IUCr)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry,Condensed Matter Physics,General Materials Science,Biochemistry,Structural Biology

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