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Redetermination of germacrone type II based on single-crystal X-ray data.
- Source :
-
IUCrData [IUCrdata] 2024 Apr 26; Vol. 9 (Pt 4), pp. x240346. Date of Electronic Publication: 2024 Apr 26 (Print Publication: 2024). - Publication Year :
- 2024
-
Abstract
- The extraction and purification procedures, crystallization and crystal structure refinement (single-crystal X-ray data) of germacrone type II, C <subscript>15</subscript> H <subscript>22</subscript> O, are presented. The structural results are compared with a previous powder X-ray synchrotron study [Kaduk et al. (2022 ▸). Powder Diffr. 37 , 98-104], revealing significant improvements in terms of accuracy and precision. Hirshfeld atom refinement (HAR), as well as Hirshfeld surface analysis, give insight into the inter-molecular inter-actions of germacrone type II.<br /> (© Meurer et al. 2024.)
Details
- Language :
- English
- ISSN :
- 2414-3146
- Volume :
- 9
- Issue :
- Pt 4
- Database :
- MEDLINE
- Journal :
- IUCrData
- Publication Type :
- Academic Journal
- Accession number :
- 38720999
- Full Text :
- https://doi.org/10.1107/S2414314624003468