Information card for entry 2212380

Structure parameters

• Chemical name: 1-(Phenylsulfonyl)-2,3-di-p-tolyl-1H-indole
• Formula: C28 H23 N O2 S
• Calculated formula: C28 H23 N O2 S
• SMILES: S(=O)(=O)(n1c(c(c2ccccc12)c1ccc(cc1)C)c1ccc(cc1)C)c1ccccc1
• Title of publication: 1-(Phenylsulfonyl)-2,3-di-<i>p</i>-tolyl-1<i>H</i>-indole
• Authors of publication: Liu, Yanbing; Gribble, Gordon W.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o735 - o737
• a: 9.521 ± 0.002 Å
• b: 10.775 ± 0.004 Å
• c: 12.06 ± 0.004 Å
• α: 74.61 ± 0.03°
• β: 102.14 ± 0.03°
• γ: 103.45 ± 0.02°
• Cell volume: 1145.5 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.217
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes