Information card for entry 2209802

Structure parameters

• Chemical name: 3-(4-Carboxyphenoxy)propionic acid
• Formula: C10 H10 O5
• Calculated formula: C10 H10 O5
• SMILES: OC(=O)CCOc1ccc(cc1)C(=O)O
• Title of publication: 3-(4-Carboxyphenoxy)propionic acid
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3420 - o3421
• a: 7.813 ± 0.004 Å
• b: 9.032 ± 0.006 Å
• c: 13.631 ± 0.009 Å
• α: 90°
• β: 94.92 ± 0.02°
• γ: 90°
• Cell volume: 958.4 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes