Information card for entry 2202614

Structure parameters

• Common name: 4-Hydroxy allyl benzoate
• Chemical name: 4-Hydroxy-benzoic acid allyl ester
• Formula: C10 H10 O3
• Calculated formula: C10 H10 O3
• SMILES: C=CCOC(=O)c1ccc(cc1)O
• Title of publication: Allyl 4-hydroxybenzoate
• Authors of publication: Herrera, Ana M.; Bernès, Sylvain; .; López, Delia; .
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1522 - o1524
• a: 12.6682 ± 0.0012 Å
• b: 13.2891 ± 0.001 Å
• c: 11.5196 ± 0.001 Å
• α: 90°
• β: 108.45 ± 0.007°
• γ: 90°
• Cell volume: 1839.6 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.0984
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes