Information card for entry 2001343

Structure parameters

• Chemical name: 3-cyano-4-(4-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene
• Formula: C23 H18 N2 O
• Calculated formula: C23 H18 N2 O
• SMILES: COc1ccc(cc1)/C=C(\N=C(c1ccccc1)c1ccccc1)C#N
• Title of publication: Structures of 1,1-diphenyl-2-aza-1,3-butadienes. I. 3-Cyano-4-(<i>n</i>-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadienes (<i>n</i> = 2, 3, 4)
• 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: 1813 - 1818
• a: 9.319 ± 0.001 Å
• b: 10.391 ± 0.001 Å
• c: 10.953 ± 0.001 Å
• α: 116.41 ± 0.01°
• β: 103 ± 0.01°
• γ: 91.49 ± 0.01°
• Cell volume: 915.87 ± 0.19 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 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 significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 1.435
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No