Information card for entry 2208785

Structure parameters

• Chemical name: N,N'-Bis(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine
• Formula: C44 H32 N2
• Calculated formula: C44 H32 N2
• SMILES: c1ccc(cc1)N(c1cccc2c1cccc2)c1ccc(cc1)c1ccc(cc1)N(c1cccc2c1cccc2)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(1-naphthyl)-<i>N</i>,<i>N</i>'-diphenyl-1,1'-biphenyl-4,4'-diamine
• Authors of publication: Li-Qun Huang; Qian-Yong Cao; Chun Yi; Chang-Jian Yang; Xi-Cun Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2075 - o2076
• a: 10.3089 ± 0.0009 Å
• b: 11.3382 ± 0.001 Å
• c: 14.5056 ± 0.0013 Å
• α: 82.378 ± 0.001°
• β: 77.671 ± 0.002°
• γ: 75.565 ± 0.001°
• Cell volume: 1598.4 ± 0.2 ų
• Cell temperature: 293 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes