Information card for entry 2007031

Structure parameters

• Formula: C30 H26 N2 O4 S2
• Calculated formula: C30 H26 N2 O4 S2
• SMILES: S(=O)(=O)(n1c2ccccc2c2c1CN(S(=O)(=O)c1ccccc1)CC2Cc1ccccc1)c1ccccc1
• Title of publication: 4-Benzyl-2,9-bis(phenylsulfonyl)-1,2,3,4-tetrahydro-9<i>H</i>-β-carboline
• Authors of publication: Govindasamy, Lakashmanan; Velmurugan, D.; Ravikumar, K.; Mohanakrishnan, A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 277 - 279
• a: 10.184 ± 0.001 Å
• b: 10.941 ± 0.001 Å
• c: 13.441 ± 0.001 Å
• α: 84.8 ± 0.02°
• β: 67.94 ± 0.02°
• γ: 82.65 ± 0.02°
• Cell volume: 1375.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections: 0.192
• Weighted residual factors for significantly intense reflections: 0.143
• Goodness-of-fit parameter for all reflections: 0.963
• Goodness-of-fit parameter for significantly intense reflections: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No