Information card for entry 2207411

Structure parameters

• Chemical name: N-Benzyl-4-(4,4-diphenylbuta-1,3-dienyl)-N-ethylaniline
• Formula: C31 H29 N
• Calculated formula: C31 H29 N
• SMILES: N(c1ccc(/C=C/C=C(c2ccccc2)c2ccccc2)cc1)(Cc1ccccc1)CC
• Title of publication: <i>N</i>-Benzyl-4-(4,4-diphenylbuta-1,3-dienyl)-<i>N</i>-ethylaniline
• Authors of publication: Wu, An-Shu; Li, Xiang-Gao; Li, Nan; Wang, Shi-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3691 - o3692
• a: 10.4818 ± 0.0017 Å
• b: 17.071 ± 0.003 Å
• c: 13.46 ± 0.002 Å
• α: 90°
• β: 92.78 ± 0.003°
• γ: 90°
• Cell volume: 2405.6 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes