Information card for entry 2000311

Structure parameters

• Formula: C15 H16 O4 S
• Calculated formula: C15 H16 O4 S
• SMILES: S1(=O)(=O)C[C@@H]([C@H]2CC(=O)C=C[C@@H]12)OCc1ccccc1.S1(=O)(=O)C[C@H]([C@@H]2CC(=O)C=C[C@H]12)OCc1ccccc1
• Title of publication: Structure of (±)-3-benzyloxy-2,3,3a,7a-tetrahydrobenzo[<i>b</i>]thiophen-5(4<i>H</i>)-one 1,1-dioxide
• Authors of publication: Lynch, V. M.; Daniel, D.; Martin, S. F.; Davis, B. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1340 - 1342
• a: 5.9496 ± 0.001 Å
• b: 11.483 ± 0.003 Å
• c: 40.262 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2750.7 ± 1 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P b c a
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No