Information card for entry 2211366

Structure parameters

• Chemical name: [5-Fluoro-2-(4-methylbenzoyloxy)phenyl](4-methylphenyl)methanone
• Formula: C22 H17 F O3
• Calculated formula: C22 H17 F O3
• SMILES: Fc1cc(c(OC(=O)c2ccc(cc2)C)cc1)C(=O)c1ccc(cc1)C
• Title of publication: [5-Fluoro-2-(4-methylbenzoyloxy)phenyl](4-methylphenyl)methanone
• Authors of publication: Naveen, S.; Venu, T. D.; Shashikanth, S.; Sridhar, M. A.; Shashidhara Prasad, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5896 - o5898
• a: 13.519 ± 0.01 Å
• b: 9.902 ± 0.009 Å
• c: 13.319 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1783 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes