Information card for entry 2207256

Structure parameters

• Chemical name: 4-(4,4-Diphenylbuta-1,3-dienyl)-N,N-bis(4-methylphenyl)aniline
• Formula: C36 H31 N
• Calculated formula: C36 H31 N
• SMILES: N(c1ccc(/C=C/C=C(c2ccccc2)c2ccccc2)cc1)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: 4-(4,4-Diphenylbuta-1,3-dienyl)-<i>N</i>,<i>N</i>-bis(4-methylphenyl)aniline
• Authors of publication: Wu, An-Shu; Li, Xiang-Gao; He, Li-Li; Wang, Shi-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3699 - o3700
• a: 16.629 ± 0.002 Å
• b: 14.9729 ± 0.0019 Å
• c: 22.899 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5701.5 ± 1.2 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: 0.1406
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes