Information card for entry 2224953

Structure parameters

• Chemical name: Propyl 4-hydroxybenzoate
• Formula: C10 H12 O3
• Calculated formula: C10 H12 O3
• SMILES: CCCOC(=O)c1ccc(cc1)O
• Title of publication: Propyl 4-hydroxybenzoate
• Authors of publication: Zhou, Yiwen; Matsadiq, Guzalnur; Wu, Yanling; Xiao, Jing; Cheng, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o485
• a: 12.0634 ± 0.0012 Å
• b: 13.8419 ± 0.0014 Å
• c: 11.7982 ± 0.0011 Å
• α: 90°
• β: 108.625 ± 0.002°
• γ: 90°
• Cell volume: 1866.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes