Information card for entry 4020870

Structure parameters

• Formula: C22 H28 O S3
• Calculated formula: C22 H28 O S3
• SMILES: S1(S[C@](S[C@@]1(c1ccccc1)C(C)(C)C)(c1ccccc1)C(C)(C)C)=O
• Title of publication: Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl- 1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides
• Authors of publication: Hideaki Oshida; Akihiko Ishii; Juzo Nakayama
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1695 - 1703
• a: 13.217 ± 0.004 Å
• b: 15.6 ± 0.004 Å
• c: 10.223 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2108 ± 1 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No