Information card for entry 4020853

Structure parameters

• Formula: C15 H22 O3 S
• Calculated formula: C15 H22 O3 S
• SMILES: S(=O)(=O)([C@@H](/C=C/[C@H](O)C)C(C)(C)C)c1ccccc1.S(=O)(=O)([C@H](/C=C/[C@@H](O)C)C(C)(C)C)c1ccccc1
• Title of publication: Do the Electronic Effects of Sulfur Indeed Control the π-Selectivity of γ-Sulfenyl Enones? An Investigation
• Authors of publication: Veejendra K. Yadav; K. Ganesh Babu; Masood Parvez
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3866 - 3874
• a: 10.201 ± 0.003 Å
• b: 14.241 ± 0.005 Å
• c: 10.733 ± 0.003 Å
• α: 90°
• β: 97.607 ± 0.017°
• γ: 90°
• Cell volume: 1545.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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