Information card for entry 2227411

Structure parameters

• Chemical name: 4-Phenyl-2,6-bis(4-tolyl)pyridine
• Formula: C25 H21 N
• Calculated formula: C25 H21 N
• SMILES: Cc1ccc(cc1)c1cc(cc(n1)c1ccc(cc1)C)c1ccccc1
• Title of publication: 4-Phenyl-2,6-bis(4-tolyl)pyridine
• Authors of publication: Ma, Yajun; Liu, Buming; Xue, Chenghu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2322
• a: 21.234 ± 0.003 Å
• b: 12.0489 ± 0.0015 Å
• c: 7.3601 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1883.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes