Information card for entry 2241280

Structure parameters

• Chemical name: 2-[2-Phenyl-1-(phenylsulfonyl)ethyl]-1-phenylsulfonyl-1<i>H</i>-indole
• Formula: C28 H23 N O4 S2
• Calculated formula: C28 H23 N O4 S2
• SMILES: c1(ccccc1)S(=O)(=O)n1c2ccccc2cc1C(Cc1ccccc1)S(=O)(=O)c1ccccc1
• Title of publication: Crystal structure of 2-[2-phenyl-1-(phenylsulfonyl)ethyl]-1-phenylsulfonyl-1<i>H</i>-indole
• Authors of publication: Umadevi, M.; Raju, Potharaju; Yamuna, R.; Mohanakrishnan, Arasambattu K.; Chakkaravarthi, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o910 - o911
• a: 9.7485 ± 0.0006 Å
• b: 10.493 ± 0.0006 Å
• c: 12.2879 ± 0.0006 Å
• α: 94.479 ± 0.003°
• β: 96.926 ± 0.003°
• γ: 102.253 ± 0.003°
• Cell volume: 1212.36 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes