Information card for entry 2201213

Structure parameters

• Chemical name: 2-(4-Methylbenzoyloxy)-5-methylacetophenone
• Formula: C17 H16 O3
• Calculated formula: C17 H16 O3
• SMILES: O(c1ccc(C)cc1C(=O)C)C(=O)c1ccc(cc1)C
• Title of publication: 5-Methyl-2-(4-methylbenzoyloxy)acetophenone
• Authors of publication: Kazak, Canan; Aygün, Muhittin; Kuş, Canan; Özbey, Süheyla; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o612 - o614
• a: 7.5424 ± 0.0006 Å
• b: 9.5834 ± 0.0008 Å
• c: 10.7427 ± 0.0008 Å
• α: 69.671 ± 0.007°
• β: 80.402 ± 0.009°
• γ: 87.077 ± 0.008°
• Cell volume: 717.92 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No