Information card for entry 2203585

Structure parameters

• Chemical name: ethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
• Formula: C11 H12 O4
• Calculated formula: C11 H12 O4
• SMILES: Oc1cc(ccc1O)/C=C/C(=O)OCC
• Title of publication: Ethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
• Authors of publication: Chun-Nian Xia; Wei-Xiao Hu; Guo-Wu Rao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o913 - o914
• a: 6.659 ± 0.001 Å
• b: 5.811 ± 0.001 Å
• c: 25.992 ± 0.007 Å
• α: 90 ± 0.02°
• β: 91.51 ± 0.02°
• γ: 90°
• Cell volume: 1005.4 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes