Information card for entry 4038763

Structure parameters

• Formula: C20 H21 F O3
• Calculated formula: C20 H21 F O3
• Title of publication: Copper-Catalyzed Ring-Opening Defluorinative Alkylation of Siloxydifluorocyclopropanes: Synthesis of γ-Fluoro-δ-Ketoesters and γ,δ-Diketonitriles.
• Authors of publication: Wang, Shifang; Liu, Xiaowei; Zhu, Dongsheng; Wang, Mang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 19
• Pages of publication: 12408 - 12417
• a: 20.058 ± 0.004 Å
• b: 14.261 ± 0.003 Å
• c: 6.1046 ± 0.001 Å
• α: 90°
• β: 91.741 ± 0.012°
• γ: 90°
• Cell volume: 1745.4 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1192
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No