Information card for entry 2228938

Structure parameters

• Chemical name: (<i>E</i>)-Methyl 3-(3,4-dihydroxyphenyl)acrylate
• Formula: C10 H10 O4
• Calculated formula: C10 H10 O4
• SMILES: O(C)C(=O)/C=C/c1ccc(O)c(O)c1
• Title of publication: (<i>E</i>)-Methyl 3-(3,4-dihydroxyphenyl)acrylate
• Authors of publication: Wang, Li; Meng, Fa-Yan; Lin, Cui-Wu; Chen, Hai-Yan; Luo, Xuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o354
• a: 5.129 ± 0.005 Å
• b: 9.969 ± 0.008 Å
• c: 10.586 ± 0.009 Å
• α: 117.627 ± 0.007°
• β: 97.924 ± 0.011°
• γ: 94.322 ± 0.011°
• Cell volume: 469 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes