Information card for entry 2236197

Structure parameters

• Chemical name: 2-Acetylphenyl (2<i>E</i>)-3-(4-fluorophenyl)acrylate
• Formula: C17 H13 F O3
• Calculated formula: C17 H13 F O3
• SMILES: Fc1ccc(/C=C/C(=O)Oc2c(C(=O)C)cccc2)cc1
• Title of publication: 2-Acetylphenyl (2<i>E</i>)-3-(4-fluorophenyl)acrylate
• Authors of publication: Momin, Mehbub I. K.; Pawar, Sunayna; Koorbanally, Neil Anthony; Su, Hong; Ramjugernath, Deresh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3049
• a: 26.574 ± 0.001 Å
• b: 6.3883 ± 0.0003 Å
• c: 19.3304 ± 0.0006 Å
• α: 90°
• β: 123.037 ± 0.002°
• γ: 90°
• Cell volume: 2751 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes