Information card for entry 2001005

Structure parameters

• Formula: C18 H16 O4 S2
• Calculated formula: C18 O4 S2
• SMILES: O=S1(=O)c2ccccc2[C@H]2[C@]1(C)[C@H]1[C@]2(C)S(c2c1cccc2)(=O)=O
• Title of publication: Structure of the head-to-tail <i>cis</i>-<i>anti</i>-<i>cis</i> photodimer of 2-methylbenzo[<i>b</i>]thiophene 1,1-dioxide
• Authors of publication: Olivé, J. L.; Saaedan, A.; El Amoudi, M. S.; Geneste, P.; Rambaud, J.; Declercq, J.-P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 501 - 503
• a: 6.918 ± 0.001 Å
• b: 12.27 ± 0.001 Å
• c: 9.283 ± 0.001 Å
• α: 90°
• β: 104.13 ± 0.02°
• γ: 90°
• Cell volume: 764.14 ± 0.17 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No