Information card for entry 2216561

Structure parameters

• Chemical name: Ethyl 2-(3-methoxyphenyl)acetate
• Formula: C11 H14 O3
• Calculated formula: C11 H14 O3
• SMILES: O=C(OCC)Cc1cc(OC)ccc1
• Title of publication: Ethyl 2-(3-methoxyphenyl)acetate
• Authors of publication: Ghulam Qadeer; Nasim Hasan Rama; Murat Taş; Okan Zafer Yeşilel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4678 - o4678
• a: 14.868 ± 0.002 Å
• b: 4.851 ± 0.002 Å
• c: 15.428 ± 0.004 Å
• α: 90°
• β: 107.7 ± 0.03°
• γ: 90°
• Cell volume: 1060.1 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.1453
• Weighted residual factors for significantly intense reflections: 0.4838
• Weighted residual factors for all reflections included in the refinement: 0.3454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No