Information card for entry 2209150

Structure parameters

• Chemical name: (E)-2-Phenyl-3-(2-phenylindolizin-3-yl)acrylonitrile
• Formula: C23 H16 N2
• Calculated formula: C23 H16 N2
• SMILES: n12c(cc(c3ccccc3)c2/C=C(/C#N)c2ccccc2)cccc1
• Title of publication: (<i>E</i>)-2-Phenyl-3-(2-phenylindolizin-3-yl)acrylonitrile
• Authors of publication: Qian, Bao-Hua; Liu, Wei-Wei; Lu, Lu-De; Hu, Hong-Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2363 - o2364
• a: 12.175 ± 0.002 Å
• b: 16.548 ± 0.003 Å
• c: 17.111 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3447.4 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.152
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes