Information card for entry 2207425

Structure parameters

• Chemical name: N,N-Dibenzyl-4-(4,4-diphenylbuta-1,3-dienyl)-3-methylaniline
• Formula: C37 H33 N
• Calculated formula: C37 H33 N
• SMILES: N(c1ccc(/C=C\C=C(c2ccccc2)/c2ccccc2)c(c1)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>-Dibenzyl-4-(4,4-diphenylbuta-1,3-dienyl)-3-methylaniline
• Authors of publication: Wu, An-Shu; Li, Xiang-Gao; Xu, De-Shun; Wang, Shi-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4167 - o4168
• a: 6.1629 ± 0.0016 Å
• b: 15.935 ± 0.004 Å
• c: 16.323 ± 0.004 Å
• α: 117.824 ± 0.004°
• β: 90.749 ± 0.005°
• γ: 99.054 ± 0.005°
• Cell volume: 1393.1 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes