Information card for entry 8105335

Structure parameters

• Formula: C31 H19 N3 O
• Calculated formula: C31 H19 N3 O
• SMILES: c1(c(cc2c(cc(c3ccccc3)n2c1)C(=C(C#N)\C=O)\c1ccccc1)c1ccccc1)C#N
• Title of publication: Crystal structure of (E)-1-(2-cyano-3-oxo-1-phenylprop-1-en-1-yl)-3,7-diphenylindolizine-6-carbonitrile, C31H19N3O
• Authors of publication: Wang, Feng; Shen, Lun-Hua; Jiang, Jin-Ke; Chen, Nian-gen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 933 - 934
• a: 8.672 ± 0.005 Å
• b: 10.725 ± 0.006 Å
• c: 13.886 ± 0.008 Å
• α: 97.55 ± 0.009°
• β: 101.415 ± 0.009°
• γ: 109.603 ± 0.009°
• Cell volume: 1164.9 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No