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Optimizing disordered crystal structures

A mixed-crystal full-mol­ecule disorder situation is revisited in Parkin et al. [Acta Cryst. (2023), C79, 77–82]. A new inter­pretation of the data leads to the conclusion that the crystal structure is more likely to be a three-component superposition of enantiomers and the meso isomer of an organic...

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Detalles Bibliográficos
Autor principal: Linden, Anthony
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9985949/
https://www.ncbi.nlm.nih.gov/pubmed/36871287
http://dx.doi.org/10.1107/S2053229623001547
Descripción
Sumario:A mixed-crystal full-mol­ecule disorder situation is revisited in Parkin et al. [Acta Cryst. (2023), C79, 77–82]. A new inter­pretation of the data leads to the conclusion that the crystal structure is more likely to be a three-component superposition of enantiomers and the meso isomer of an organic compound and the article is thus a good learning example for dealing with a highly disordered structure.