Information card for entry 2228167

Structure parameters

• Common name: 3-(o-formylphenoxy) propanoic acid
• Chemical name: 3-(2-formylphenoxy)propanoic acid
• Formula: C10 H10 O4
• Calculated formula: C10 H10 O4
• SMILES: OC(=O)CCOc1c(cccc1)C=O
• Title of publication: 3-(2-Formylphenoxy)propanoic acid
• Authors of publication: Collas, Alain; Vande Velde, Christophe M. L.; Blockhuys, Frank
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2662
• a: 15.269 ± 0.004 Å
• b: 7.167 ± 0.002 Å
• c: 17.136 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1875.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes