Information card for entry 7160866

Structure parameters

• Formula: C19 H18 F3 N O4
• Calculated formula: C19 H18 F3 N O4
• Title of publication: Photoredox catalyzed synthesis of β-trifluoromethyl β-aminoketones from <i>N</i>-trifluoroethyl hydroxylamine reagent and silyl enol ethers.
• Authors of publication: Feng, Yuxi; Liu, Shuai; Meng, Weidong; Huang, Yangen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• a: 14.1227 ± 0.0012 Å
• b: 4.9556 ± 0.0004 Å
• c: 25.231 ± 0.003 Å
• α: 90°
• β: 96.714 ± 0.009°
• γ: 90°
• Cell volume: 1753.7 ± 0.3 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1106
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No