Information card for entry 2221919

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-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: A new crystal phase of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetraphenyl-1,1'-biphenyl-4,4'-diamine
• Authors of publication: Shao, Xiangfeng; Asahi, Kenshiro; Yamauchi, Takayoshi; Sugimoto, Toyonari; Shiro, Motoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1224
• a: 9.6846 ± 0.0002 Å
• b: 14.2661 ± 0.0004 Å
• c: 9.7946 ± 0.0002 Å
• α: 90°
• β: 107.052 ± 0.0015°
• γ: 90°
• Cell volume: 1293.75 ± 0.05 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes