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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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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 |
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. |
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