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:
Scientific Commentaries
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
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author Linden, Anthony
author_facet Linden, Anthony
author_sort Linden, Anthony
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description 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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spelling pubmed-99859492023-03-06 Optimizing disordered crystal structures Linden, Anthony Acta Crystallogr C Struct Chem Scientific Commentaries 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. International Union of Crystallography 2023-02-21 /pmc/articles/PMC9985949/ /pubmed/36871287 http://dx.doi.org/10.1107/S2053229623001547 Text en © Anthony Linden 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Scientific Commentaries
Linden, Anthony
Optimizing disordered crystal structures
title Optimizing disordered crystal structures
title_full Optimizing disordered crystal structures
title_fullStr Optimizing disordered crystal structures
title_full_unstemmed Optimizing disordered crystal structures
title_short Optimizing disordered crystal structures
title_sort optimizing disordered crystal structures
topic Scientific Commentaries
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9985949/
https://www.ncbi.nlm.nih.gov/pubmed/36871287
http://dx.doi.org/10.1107/S2053229623001547
work_keys_str_mv AT lindenanthony optimizingdisorderedcrystalstructures

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