Information card for entry 2008821

Structure parameters

• Formula: C30 H26 N2 O6 S
• Calculated formula: C30 H26 N2 O6 S
• SMILES: S(=O)(=O)(n1c2ccccc2c2c(n(c(c12)C(=C/C(=O)OC)/C(=O)OC)Cc1ccccc1)C)c1ccccc1
• Title of publication: Dimethyl α-(2-benzyl-1-methyl-4-phenylsulfonylpyrrolo[3,4-<i>b</i>]indol-3-yl)maleate
• Authors of publication: Govindasamy, L.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1315 - 1317
• a: 10.2215 ± 0.0002 Å
• b: 20.8692 ± 0.0004 Å
• c: 12.87 ± 0.0001 Å
• α: 90°
• β: 98.13 ± 0.001°
• γ: 90°
• Cell volume: 2717.77 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes