Information card for entry 2205345

Structure parameters

• Chemical name: 3-Benzyl-2-methyl-1-phenylsulfonyl-1H-indole
• Formula: C22 H19 N O2 S
• Calculated formula: C22 H19 N O2 S
• SMILES: n1(c(c(c2ccccc12)Cc1ccccc1)C)S(=O)(=O)c1ccccc1
• Title of publication: 3-Benzyl-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole
• Authors of publication: S. M. Malathy Sony; K. Palani; P. Charles; M. N. Ponnuswamy; N. Sureshbabu; P. C. Srinivasan; M. Nethaji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o521 - o523
• a: 17.16 ± 0.009 Å
• b: 11.68 ± 0.006 Å
• c: 18.274 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3663 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes