Information card for entry 4038764

Structure parameters

• Formula: C19 H17 N O2
• Calculated formula: C19 H17 N O2
• 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: 5.942 ± 0.0006 Å
• b: 26.684 ± 0.003 Å
• c: 9.9612 ± 0.0011 Å
• α: 90°
• β: 104.342 ± 0.011°
• γ: 90°
• Cell volume: 1530.2 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1343
• 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: No