Information card for entry 2234564

Structure parameters

• Chemical name: 4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde
• Formula: C35 H24 N4 O2
• Calculated formula: C35 H24 N4 O2
• SMILES: c1(ccccn1)c1cc(cc(c2ccccn2)n1)c1ccc(cc1)N(c1ccc(cc1)C=O)c1ccc(cc1)C=O
• Title of publication: 4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde
• Authors of publication: Shen, Wei-Biao; Zhang, Zhi-Wen; Wang, Li-Wen; Wu, Jie-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1358
• a: 11.2518 ± 0.0014 Å
• b: 18.38 ± 0.002 Å
• c: 25.86 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5348.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes