Information card for entry 2223279

Structure parameters

• Chemical name: 1,3,5-Tris(<i>N</i>-phenylbenzimidazol-2-yl)benzene methanol solvate
• Formula: C46 H34 N6 O
• Calculated formula: C46 H34 N6 O
• SMILES: c1(c2cc(c3n(c4ccccc4n3)c3ccccc3)cc(c3nc4ccccc4n3c3ccccc3)c2)nc2ccccc2n1c1ccccc1.CO
• Title of publication: 1,3,5-Tris(<i>N</i>-phenylbenzimidazol-2-yl)benzene methanol solvate
• Authors of publication: Song, Wei-Feng; Wu, Ying; Fan, Yan; Wang, Yue; Liu, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2461
• a: 11.253 ± 0.002 Å
• b: 18.692 ± 0.004 Å
• c: 17.763 ± 0.004 Å
• α: 90°
• β: 101.58 ± 0.03°
• γ: 90°
• Cell volume: 3660.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.102
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes