Information card for entry 2235116

Structure parameters

• Chemical name: Ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
• Formula: C19 H19 Cl O4
• Calculated formula: C19 H19 Cl O4
• SMILES: Clc1ccc(cc1)C(=O)c1ccc(OC(C)(C)C(=O)OCC)cc1
• Title of publication: Ethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
• Authors of publication: Yang, Zhao; Wang, Zhi-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1750
• a: 13.677 ± 0.003 Å
• b: 16.42 ± 0.003 Å
• c: 7.949 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1785.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes