Information card for entry 2227645

Structure parameters

• Chemical name: 5-Chloro-3-[(<i>E</i>)-1,2-diphenylethenyl]-1<i>H</i>-indole
• Formula: C22 H16 Cl N
• Calculated formula: C22 H16 Cl N
• SMILES: c1c(c2cc(ccc2[nH]1)Cl)C(=C\c1ccccc1)\c1ccccc1
• Title of publication: 5-Chloro-3-[(<i>E</i>)-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: o2514
• a: 10.8869 ± 0.0006 Å
• b: 14.0373 ± 0.0008 Å
• c: 10.7978 ± 0.0004 Å
• α: 90°
• β: 91.706 ± 0.002°
• γ: 90°
• Cell volume: 1649.42 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes