Information card for entry 2220328

Structure parameters

• Chemical name: Ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenoxy)acrylate
• Formula: C17 H13 Cl F2 O3
• Calculated formula: C17 H13 Cl F2 O3
• SMILES: c1(c(cc(cc1)F)F)O/C=C(/c1ccc(cc1)Cl)C(=O)OCC
• Title of publication: Ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenoxy)acrylate
• Authors of publication: Gong, Hai-Bin; Wang, Jie; Liu, Ying; Wang, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2373
• a: 16.275 ± 0.003 Å
• b: 7.503 ± 0.002 Å
• c: 13.812 ± 0.003 Å
• α: 90°
• β: 111.11 ± 0.03°
• γ: 90°
• Cell volume: 1573.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1241
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes