Information card for entry 2224497

Structure parameters

• Chemical name: 4-(4-Bromophenyl)-2,6-diphenylpyridine
• Formula: C23 H16 Br N
• Calculated formula: C23 H16 Br N
• SMILES: Brc1ccc(cc1)c1cc(nc(c1)c1ccccc1)c1ccccc1
• Title of publication: 4-(4-Bromophenyl)-2,6-diphenylpyridine
• Authors of publication: Cao, Qun; Xie, Yu; Jia, Jie; Hong, Xiao-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3182
• a: 8.9837 ± 0.0004 Å
• b: 21.5202 ± 0.001 Å
• c: 9.6108 ± 0.0004 Å
• α: 90°
• β: 105.594 ± 0.001°
• γ: 90°
• Cell volume: 1789.67 ± 0.14 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: 0.0839
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes