Absolute refinement of crystal structures by X-ray phase measurements.

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

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

Afiliação

Morelhão SL; Instituto de Física, Universidade de São Paulo, São Paulo, SP, Brazil.
Amirkhanyan ZG; Instituto de Física, Universidade de São Paulo, São Paulo, SP, Brazil.
Remédios CM; Faculdade de Física, Universidade Federal Pará, Belém, PA, Brazil.

Acta Crystallogr A Found Adv ; 71(Pt 3): 291-6, 2015 May.

Article em En | MEDLINE | ID: mdl-25921497

RESUMO

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.

Palavras-chave

X-ray diffraction; chirality; invariant phase triplets; single crystals

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Acta Crystallogr A Found Adv Ano de publicação: 2015 Tipo de documento: Article País de afiliação: Brasil País de publicação: Estados Unidos

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