Information card for entry 8105011

Structure parameters

• Formula: C29 H29 N3
• Calculated formula: C29 H29 N3
• SMILES: c1(ccccc1)N(c1ccccc1)c1ccc(cc1)/N=C/c1ccc(cc1)N(CC)CC
• Title of publication: The crystal structure of (E)-4-((4-(diethylamino)benzylidene)amino)-N,N-diphenylaniline, C29H29N3
• Authors of publication: Liu, Yue; Yang, Zhou-Hua; Ni, Jian-Jun; Liu, Zhaod-Di
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 45 - 47
• a: 10.677 ± 0.004 Å
• b: 11.325 ± 0.004 Å
• c: 21.53 ± 0.008 Å
• α: 88.026 ± 0.005°
• β: 75.646 ± 0.005°
• γ: 71.504 ± 0.004°
• Cell volume: 2389 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1219
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No