Information card for entry 2216242

Structure parameters

• Chemical name: 3-Acetyl-4-hydroxyphenyl acrylate
• Formula: C11 H10 O4
• Calculated formula: C11 H10 O4
• SMILES: CC(=O)c1ccc(cc1O)OC(=O)C=C
• Title of publication: 3-Acetyl-4-hydroxyphenyl acrylate
• Authors of publication: G. Chakkaravarthi; A. Anthonysamy; S. Balasubramanian; V. Manivannan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4725 - o4725
• a: 12.3214 ± 0.0016 Å
• b: 6.1103 ± 0.0008 Å
• c: 14.1971 ± 0.0019 Å
• α: 90°
• β: 104.527 ± 0.003°
• γ: 90°
• Cell volume: 1034.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes