Information card for entry 2221227

Structure parameters

• Chemical name: 3,5-Dibenzoyl-2,6-dimethyl-1-pentyl-4-pyridone
• Formula: C26 H27 N O3
• Calculated formula: C26 H27 N O3
• SMILES: c1ccccc1C(=O)c1c(=O)c(c(C)n(c1C)CCCCC)C(=O)c1ccccc1
• Title of publication: 3,5-Dibenzoyl-2,6-dimethyl-1-pentyl-4-pyridone
• Authors of publication: Şahin, Zarife Sibel; Işık, Şamil; Şener, Ahmet; Tan, Meltem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o619
• a: 7.7879 ± 0.0003 Å
• b: 12.6502 ± 0.0006 Å
• c: 23.6491 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2329.9 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1622
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.2766
• Weighted residual factors for all reflections included in the refinement: 0.3161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes