Information card for entry 3500097

Structure parameters

• Common name: Ethyl p-hydroxybenzoate
• Chemical name: Benzoic acid, 4-hydroxy-, ethyl ester
• Formula: C9 H10 O3
• Calculated formula: C9 H10 O3
• Title of publication: Ethyl p-hydroxybenzoate
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 11.6577 ± 0.0004 Å
• b: 13.1592 ± 0.0004 Å
• c: 11.534 ± 0.0004 Å
• α: 90°
• β: 109.098 ± 0.001°
• γ: 90°
• Cell volume: 1672 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0413
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes