1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from metadynamics
✍ Scribed by Salvalaglio, Matteo; Giberti, Federico; Parrinello, Michele
- Book ID
- 125529875
- Publisher
- International Union of Crystallography
- Year
- 2014
- Tongue
- English
- Weight
- 957 KB
- Volume
- 70
- Category
- Article
- ISSN
- 2053-2296
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📜 SIMILAR VOLUMES
The title compound, C 21 H 18 F 3 N 3 O 6 S 3 , has a chair conformation that is similar to the majority of the 1,3,5-triazacyclohexane rings reported in the literature. It is the product of a condensation reaction between ¯uorobenzenesulfonamide and formaldehyde, and its empirical and structural fo
Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.003 A Ê R factor = 0.034 wR factor = 0.094 Data-to-parameter ratio = 10.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.