Information card for entry 2211172

Structure parameters

• Chemical name: N,N,N',N'-Tetraphenyl-1,1'-biphenyl-4,4'-diamine
• Formula: C36 H28 N2
• Calculated formula: C36 H28 N2
• SMILES: c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraphenyl-1,1'-biphenyl-4,4'-diamine
• Authors of publication: Zhang, Hai-Guang; Yu, Wen-Tao; Yan, Shi-Na; Cheng, Chao; Tao, Xu-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5236 - o5238
• a: 16.389 ± 0.002 Å
• b: 34.178 ± 0.004 Å
• c: 9.729 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5449.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes