Information card for entry 2010418

Structure parameters

• Formula: C31 H29 N O7 S2
• Calculated formula: C31 H29 N O7 S2
• SMILES: COc1cc(cc(c1OC)OC)CC(S(=O)(=O)c1ccccc1)c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
• Title of publication: 1-(Phenylsulfonyl)-2-[1-(phenylsulfonyl)-2-(3,4,5-trimethoxyphenyl)ethyl]indole
• Authors of publication: Seetharaman, J.; Rajan, S.S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 78 - 80
• a: 11.844 ± 0.002 Å
• b: 24.508 ± 0.004 Å
• c: 11.021 ± 0.003 Å
• α: 90°
• β: 114.32 ± 0.01°
• γ: 90°
• Cell volume: 2915.2 ± 1.1 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for significantly intense reflections: 1.82
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No