Information card for entry 2227732

Structure parameters

• Chemical name: 1-Benzyl-3-(1,2-diphenylethenyl)-1<i>H</i>-indole
• Formula: C29 H23 N
• Calculated formula: C29 H23 N
• SMILES: c1c(c2ccccc2n1Cc1ccccc1)C(=C\c1ccccc1)\c1ccccc1
• Title of publication: 1-Benzyl-3-(1,2-diphenylethenyl)-1<i>H</i>-indole
• Authors of publication: NizamMohideen, M.; Bhaskar, G.; Perumal, P. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2506
• a: 9.6513 ± 0.0007 Å
• b: 11.1857 ± 0.001 Å
• c: 20.0026 ± 0.0014 Å
• α: 90°
• β: 101.636 ± 0.004°
• γ: 90°
• Cell volume: 2115 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1817
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes