Information card for entry 2211595

Structure parameters

• Chemical name: 3-Phenylsulfinylmethyl-1-phenylsulfonyl-1H-indole
• Formula: C21 H17 N O3 S2
• Calculated formula: C21 H17 N O3 S2
• Title of publication: 3-Phenylsulfinylmethyl-1-phenylsulfonyl-1<i>H</i>-indole
• Authors of publication: G. Senthil Kumar; K. Chinnakali; N. Ramesh; A. K. Mohanakrishnan; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5825 - o5827
• a: 18.3174 ± 0.0003 Å
• b: 10.8625 ± 0.0002 Å
• c: 9.6364 ± 0.0001 Å
• α: 90°
• β: 104.697 ± 0.001°
• γ: 90°
• Cell volume: 1854.65 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes