Information card for entry 2229950

Structure parameters

• Chemical name: 4-(5-Hydroxymethyl-2-methoxyphenoxy)benzoic acid
• Formula: C15 H14 O5
• Calculated formula: C15 H14 O5
• SMILES: COc1ccc(cc1Oc1ccc(cc1)C(=O)O)CO
• Title of publication: 4-(5-Hydroxymethyl-2-methoxyphenoxy)benzoic acid
• Authors of publication: Niu, Yanyan; Wu, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1069
• a: 10.542 ± 0.0015 Å
• b: 10.6153 ± 0.0015 Å
• c: 12.807 ± 0.0018 Å
• α: 78.024 ± 0.002°
• β: 75.184 ± 0.002°
• γ: 88.451 ± 0.002°
• Cell volume: 1354.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes