Information card for entry 4020869

Structure parameters

• Formula: C22 H28 O2 S3
• Calculated formula: C22 H28 O2 S3
• SMILES: S1(S([C@](S[C@@]1(c1ccccc1)C(C)(C)C)(c1ccccc1)C(C)(C)C)=O)=O.S1(S([C@@](S[C@]1(c1ccccc1)C(C)(C)C)(c1ccccc1)C(C)(C)C)=O)=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: 8.872 ± 0.0004 Å
• b: 20.951 ± 0.0009 Å
• c: 13.5318 ± 0.0006 Å
• α: 90°
• β: 121.602 ± 0.0018°
• γ: 90°
• Cell volume: 2142.3 ± 0.2 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