Information card for entry 2016906

Structure parameters

• Chemical name: 3-cyano-4-(4-cyanophenyl)-1,1-diphenyl-2-aza-1,3-butadiene
• Formula: C23 H15 N3
• Calculated formula: C23 H15 N3
• SMILES: N#CC(=C/c1ccc(cc1)C#N)/N=C(c1ccccc1)c1ccccc1
• Title of publication: Structures of 1,1-diphenyl-2-aza-1,3-butadienes. III. 3-Cyano-4-(4-cyanophenyl)-1,1-diphenyl-2-aza-1,3-butadiene
• Authors of publication: Angelova, O.; Macíček, J.; Dryanska, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1821 - 1823
• a: 10.591 ± 0.001 Å
• b: 9.724 ± 0.001 Å
• c: 18.324 ± 0.003 Å
• α: 90°
• β: 106.26 ± 0.01°
• γ: 90°
• Cell volume: 1811.6 ± 0.4 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 3
• 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: 0.891
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.478
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for all reflections: 5.943
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No