Information card for entry 2219683

Structure parameters

• Common name: Tris[4-(2-cyanophenyl)benzyl]amine
• Chemical name: 2,2',2''-[Nitrilotris(methylene-p-phenylene)]tribenzonitrile
• Formula: C42 H30 N4
• Calculated formula: C42 H30 N4
• SMILES: C(#N)c1ccccc1c1ccc(cc1)CN(Cc1ccc(cc1)c1ccccc1C#N)Cc1ccc(cc1)c1ccccc1C#N
• Title of publication: 2,2',2''-[Nitrilotris(methylene-<i>p</i>-phenylene)]tribenzonitrile
• Authors of publication: Chen, Li-Zhuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1980
• a: 21.257 ± 0.004 Å
• b: 15.085 ± 0.003 Å
• c: 10.294 ± 0.002 Å
• α: 90°
• β: 94.73 ± 0.03°
• γ: 90°
• Cell volume: 3289.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes