Information card for entry 2220131

Structure parameters

• Chemical name: Ethyl 3-(2,4-difluorophenoxy)-2-(4-methoxyphenyl)acrylate
• Formula: C18 H16 F2 O4
• Calculated formula: C18 H16 F2 O4
• SMILES: Fc1c(O/C=C(/c2ccc(OC)cc2)C(=O)OCC)ccc(F)c1
• Title of publication: Ethyl 3-(2,4-difluorophenoxy)-2-(4-methoxyphenyl)acrylate
• Authors of publication: Chen, Wu; Cui, Yong-Ming; Pan, Fei; Xia, Dong-Sheng; Zeng, Qing-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2374
• a: 17.295 ± 0.003 Å
• b: 7.294 ± 0.002 Å
• c: 14.233 ± 0.002 Å
• α: 90°
• β: 113.73 ± 0.03°
• γ: 90°
• Cell volume: 1643.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1052
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes