Information card for entry 2212156

Structure parameters

• Chemical name: 2,3-(Dibenzyl)-1-(phenylsulfonyl)-1H-indole
• Formula: C28 H23 N O2 S
• Calculated formula: C28 H23 N O2 S
• SMILES: S(=O)(=O)(n1c(c(c2ccccc12)Cc1ccccc1)Cc1ccccc1)c1ccccc1
• Title of publication: 2,3-Dibenzyl-1-(phenylsulfonyl)-1<i>H</i>-indole
• Authors of publication: Rinderspacher, Alison; 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: o669 - o670
• a: 11.383 ± 0.0004 Å
• b: 15.6589 ± 0.0006 Å
• c: 12.218 ± 0.0005 Å
• α: 90°
• β: 91.6083 ± 0.0018°
• γ: 90°
• Cell volume: 2176.94 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0453
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes