Information card for entry 2227260

Structure parameters

• Chemical name: (Phenyl)(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)methanone
• Formula: C21 H15 N O3 S
• Calculated formula: C21 H15 N O3 S
• SMILES: c1(ccccc1)S(=O)(=O)n1c2ccccc2c(c1)C(=O)c1ccccc1
• Title of publication: (Phenyl)(1-phenylsulfonyl-1<i>H</i>-indol-3-yl)methanone
• Authors of publication: Chakkaravarthi, G.; Panchatcharam, R.; Dhayalan, V.; Mohanakrishnan, A. K.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2895
• a: 7.567 ± 0.001 Å
• b: 10.571 ± 0.002 Å
• c: 12.083 ± 0.003 Å
• α: 66.302 ± 0.002°
• β: 80.74 ± 0.001°
• γ: 78.403 ± 0.001°
• Cell volume: 863.5 ± 0.3 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: 0.0552
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes