Information card for entry 4020852

Structure parameters

• Formula: C23 H25 Br O4 S
• Calculated formula: C23 H25 Br O4 S
• SMILES: Brc1ccc(C(=O)OC(/C=C/C2(S(=O)(=O)c3ccccc3)CCCCC2)C)cc1
• 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: 10.4099 ± 0.0016 Å
• b: 10.5 ± 0.0006 Å
• c: 11.026 ± 0.004 Å
• α: 69.202 ± 0.013°
• β: 73.85 ± 0.02°
• γ: 81.188 ± 0.008°
• Cell volume: 1080.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No