Information card for entry 7160460

Structure parameters

• Formula: C25 H24 F3 O3 P
• Calculated formula: C25 H24 F3 O3 P
• Title of publication: Palladium-catalyzed regio- and enantio-selective trifluoromethylated allylic alkylation of diphenylphosphine oxides.
• Authors of publication: Zhang, Shuaibo; Liu, Yunzhe; Sun, Luyang; Wang, Bangzhong; Zhao, Jinfeng; Qu, Jingping; Zhou, Yuhan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 18
• Pages of publication: 4457 - 4462
• a: 22.608 ± 0.003 Å
• b: 5.6779 ± 0.0007 Å
• c: 18.838 ± 0.002 Å
• α: 90°
• β: 101.948 ± 0.009°
• γ: 90°
• Cell volume: 2365.8 ± 0.5 ų
• Cell temperature: 307 K
• Ambient diffraction temperature: 307 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No