Information card for entry 2206128

Structure parameters

• Chemical name: 3-[α-(4-Methoxyphenyl)-β-(4-chlorophenyl)vinyl]-2-methyl-1-phenylsulfonyl- 1H-indole
• Formula: C30 H24 Cl N O3 S
• Calculated formula: C30 H24 Cl N O3 S
• SMILES: S(=O)(=O)(n1c(c(c2c1cccc2)/C(=C\c1ccc(Cl)cc1)c1ccc(OC)cc1)C)c1ccccc1
• Title of publication: 3-[β-(4-Chlorophenyl)-α-(4-methoxyphenyl)vinyl]-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole
• Authors of publication: G. Usha; S. Selvanayagam; D. Velmurugan; K. Ravikumar; P. Jaisankar; P. C. Srinivasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2227 - o2229
• a: 13.6402 ± 0.0009 Å
• b: 10.4097 ± 0.0006 Å
• c: 18.443 ± 0.0011 Å
• α: 90°
• β: 99.756 ± 0.001°
• γ: 90°
• Cell volume: 2580.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1045
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2563
• Weighted residual factors for all reflections included in the refinement: 0.277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No