Information card for entry 2238888

Structure parameters

• Chemical name: Ethyl 6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
• Formula: C21 H18 Cl F O3
• Calculated formula: C21 H18 Cl F O3
• Title of publication: Ethyl 6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
• Authors of publication: Sapnakumari, M.; Narayana, B.; Yathirajan, H.S.; Jasinski, Jerry P.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1839 - o1840
• a: 11.6611 ± 0.0005 Å
• b: 13.1823 ± 0.0005 Å
• c: 13.2251 ± 0.0005 Å
• α: 77.25 ± 0.003°
• β: 87.32 ± 0.003°
• γ: 67.342 ± 0.004°
• Cell volume: 1828.15 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No