Information card for entry 2223223

Structure parameters

• Chemical name: 3-Acetyl-4-hydroxyphenyl acrylate
• Formula: C12 H12 O4
• Calculated formula: C12 H12 O4
• SMILES: c1(ccc(cc1C(=O)C)OC(=O)C(=C)C)O
• Title of publication: 3-Acetyl-4-hydroxyphenyl acrylate
• Authors of publication: Azeezaa, V.; Usha, G.; Bhaskaran, Sundari; Anthonysamy, A.; Balasubramanian, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2271
• a: 8.8335 ± 0.0003 Å
• b: 11.932 ± 0.0003 Å
• c: 11.3295 ± 0.0003 Å
• α: 90°
• β: 111.277 ± 0.002°
• γ: 90°
• Cell volume: 1112.75 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes