Information card for entry 2228798

Structure parameters

• Chemical name: (<i>E</i>)-Isopropyl 3-(3,4-dihydroxyphenyl)acrylate
• Formula: C12 H14 O4
• Calculated formula: C12 H14 O4
• SMILES: O(C(C)C)C(=O)/C=C/c1ccc(O)c(O)c1
• Title of publication: (<i>E</i>)-Isopropyl 3-(3,4-dihydroxyphenyl)acrylate
• Authors of publication: Shen, Xu-Ji; Liu, Shi-Yu; Jia, Pu; Wang, Shi-Xiang; Zheng, Xiao-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o17
• a: 5.883 ± 0.0014 Å
• b: 9.644 ± 0.002 Å
• c: 11.428 ± 0.003 Å
• α: 65.69 ± 0.002°
• β: 89.37 ± 0.003°
• γ: 81.018 ± 0.003°
• Cell volume: 582.6 ± 0.2 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: 0.0633
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1507
• 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