Information card for entry 2006390

Structure parameters

• Formula: C15 H14 O4
• Calculated formula: C15 H14 O4
• SMILES: O(c1ccccc1C(=O)O)c1ccccc1CCO
• Title of publication: 2-[2-(Hydroxyethyl)phenoxy]benzoic Acid
• Authors of publication: Damas, Ana M.; Roleira, Fernanda F.; Pinto, Madalena M. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1143 - 1145
• a: 4.832 ± 0.002 Å
• b: 10.222 ± 0.006 Å
• c: 13.426 ± 0.006 Å
• α: 73.3 ± 0.04°
• β: 81.43 ± 0.03°
• γ: 88.83 ± 0.04°
• Cell volume: 627.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1235
• Weighted residual factors for significantly intense reflections: 0.0932
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No