Information card for entry 7160469

Structure parameters

• Formula: C27 H34 Cl F2 N O Si
• Calculated formula: C27 H34 Cl F2 N O Si
• Title of publication: Visible-light-induced difunctionalization of β-CF₂H-1,3-enynes to access CF₂H-containing all-carbon quaternary centers.
• Authors of publication: Chen, Shu-Jie; Lin, Jin-Hao; Wu, Jia-Ming; Li, You-Hong; Dong, Bao-Le; Chen, Guo-Shu; Liu, Yun-Lin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 4069 - 4073
• a: 7.4228 ± 0.0003 Å
• b: 12.377 ± 0.0004 Å
• c: 15.3766 ± 0.0005 Å
• α: 76.468 ± 0.003°
• β: 76.054 ± 0.003°
• γ: 81.669 ± 0.003°
• Cell volume: 1327.1 ± 0.08 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No