Information card for entry 2203063

Structure parameters

• Chemical name: 2-Methoxy-2-phenylacetic acid
• Formula: C9 H10 O3
• Calculated formula: C9 H10 O3
• SMILES: C(=O)(C(c1ccccc1)OC)O
• Title of publication: 2-Methoxy-2-phenylacetic acid
• Authors of publication: Hartung, Jens; Špehar, Kristina; Svoboda, Ingrid; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o95 - o96
• a: 10.093 ± 0.003 Å
• b: 7.123 ± 0.002 Å
• c: 12.27 ± 0.003 Å
• α: 90°
• β: 110.4 ± 0.01°
• γ: 90°
• Cell volume: 826.8 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1055
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes