Information card for entry 4020868

Structure parameters

• Formula: C22 H28 O2 S3
• Calculated formula: C22 H28 O2 S3
• SMILES: S1(S(=O)[C@](S[C@@]1(C(C)(C)C)c1ccccc1)(C(C)(C)C)c1ccccc1)=O.S1(S(=O)[C@@](S[C@]1(C(C)(C)C)c1ccccc1)(C(C)(C)C)c1ccccc1)=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: 8.851 ± 0.001 Å
• b: 20.845 ± 0.004 Å
• c: 15.702 ± 0.002 Å
• α: 90°
• β: 130.56 ± 0.01°
• γ: 90°
• Cell volume: 2201.1 ± 0.5 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No