Information card for entry 2207761

Structure parameters

• Chemical name: 1,5-Diphenyl-3-(2-pyridyl)pentane-1,5-dione
• Formula: C22 H19 N O2
• Calculated formula: C22 H19 N O2
• SMILES: n1ccccc1C(CC(=O)c1ccccc1)CC(=O)c1ccccc1
• Title of publication: 1,5-Diphenyl-3-(2-pyridyl)pentane-1,5-dione
• Authors of publication: Xian-Qiang Huang; Da-Qi Wang; Jian-Min Dou; Jin-Xian Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o60 - o61
• a: 11.519 ± 0.002 Å
• b: 18.162 ± 0.003 Å
• c: 8.64 ± 0.003 Å
• α: 90°
• β: 90.213 ± 0.002°
• γ: 90°
• Cell volume: 1807.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0887
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes