Information card for entry 2239729

Structure parameters

• Chemical name: 4-{Phenyl[4-(6-phenyl-2,2'-bipyridin-4-yl)phenyl]amino}benzaldehyde
• Formula: C35 H25 N3 O
• Calculated formula: C35 H25 N3 O
• SMILES: C(=O)c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1cc(c2ccccc2)nc(c1)c1ccccn1
• Title of publication: 4-{Phenyl[4-(6-phenyl-2,2'-bipyridin-4-yl)phenyl]amino}benzaldehyde
• Authors of publication: Zhang, Yu-yang; Pan, Jian-Ting; Huang, Jian-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o840
• a: 14.4204 ± 0.0009 Å
• b: 10.0329 ± 0.0006 Å
• c: 18.4597 ± 0.0011 Å
• α: 90°
• β: 101.423 ± 0.001°
• γ: 90°
• Cell volume: 2617.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes