Information card for entry 2223988

Structure parameters

• Chemical name: Ethyl 2-(4-benzoyl-2,5-dimethylphenoxy)acetate
• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O=C(c1ccccc1)c1c(cc(OCC(=O)OCC)c(c1)C)C
• Title of publication: Ethyl 2-(4-benzoyl-2,5-dimethylphenoxy)acetate
• Authors of publication: Devarajegowda, H. C.; Khanum, Shaukath Ara; Jeyaseelan, S.; Eryani, Waleed Al; Shylajakumari, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2854 - o2855
• a: 8.148 ± 0.004 Å
• b: 8.635 ± 0.004 Å
• c: 13.029 ± 0.007 Å
• α: 84.054 ± 0.008°
• β: 81.176 ± 0.008°
• γ: 66.559 ± 0.007°
• Cell volume: 830.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes