Linden, Anthony (2023). Optimizing disordered crystal structures. Acta Crystallographica. Section C: Structural Chemistry, 79(3):69-70.
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.
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.
| Item Type: | Journal Article, refereed, further contribution |
|---|---|
| Communities & Collections: | 07 Faculty of Science > Department of Chemistry |
| Dewey Decimal Classification: | 540 Chemistry |
| Uncontrolled Keywords: | disorder; disorder modelling; whole molecule disorder; commentary |
| Language: | English |
| Date: | 1 March 2023 |
| Deposited On: | 16 Mar 2023 09:00 |
| Last Modified: | 26 Mar 2023 08:28 |
| Publisher: | Wiley-Blackwell Publishing, Inc. |
| ISSN: | 2053-2296 |
| OA Status: | Hybrid |
| Publisher DOI: | https://doi.org/10.1107/s2053229623001547 |
| PubMed ID: | 36871287 |
Linden, Anthony