Information card for entry 2216454

Structure parameters

• Chemical name: Methyl 4-acetylphenoxyacetate
• Formula: C11 H12 O4
• Calculated formula: C11 H12 O4
• SMILES: CC(=O)c1ccc(cc1)OCC(=O)OC
• Title of publication: Methyl (4-acetylphenoxy)acetate
• Authors of publication: Lai-Ping Zhang; Zhi-Fang Jia; Ting-Ting Han; Ying-Ying Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4731 - o4731
• a: 24.69 ± 0.001 Å
• b: 7.558 ± 0.0006 Å
• c: 11.128 ± 0.0009 Å
• α: 90°
• β: 92.23 ± 0.001°
• γ: 90°
• Cell volume: 2075 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes