Information card for entry 2207750

Structure parameters

• Chemical name: 3-(1,2-Diphenylvinyl)-2-methyl-1-phenylsulfonyl-1H-indole
• Formula: C29 H23 N O2 S
• Calculated formula: C29 H23 N O2 S
• SMILES: S(=O)(=O)(n1c(c(c2c1cccc2)/C(=C\c1ccccc1)c1ccccc1)C)c1ccccc1
• Title of publication: 3-(1,2-Diphenylvinyl)-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole
• Authors of publication: K. Palani; P. Jaisankar; P. C. Srinivasan; M. N. Ponnuswamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o271 - o273
• a: 9.029 ± 0.003 Å
• b: 14.891 ± 0.007 Å
• c: 9.8459 ± 0.0017 Å
• α: 90°
• β: 117.588 ± 0.018°
• γ: 90°
• Cell volume: 1173.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No