Information card for entry 2205687

Structure parameters

• Chemical name: 1-(2,4-Difluorophenyl)-1-[3-(2-fluorophenyl)oxiran-2-yl]methanone
• Formula: C15 H9 F3 O2
• Calculated formula: C15 H9 F3 O2
• SMILES: Fc1c(C(=O)[C@@H]2O[C@H]2c2c(F)cccc2)ccc(F)c1.Fc1c(C(=O)[C@H]2O[C@@H]2c2c(F)cccc2)ccc(F)c1
• Title of publication: 1-(2,4-Difluorophenyl)-1-[3-(2-fluorophenyl)oxiran-2-yl]methanone
• Authors of publication: Liang-Zhong Xu; Shuang-Hua Yang; Zhi-Guo Jiang; Guan-Ping Yu; Guo-Dong Si
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1226 - o1227
• a: 12.429 ± 0.002 Å
• b: 13.359 ± 0.002 Å
• c: 7.6176 ± 0.0013 Å
• α: 90°
• β: 103.414 ± 0.002°
• γ: 90°
• Cell volume: 1230.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes