Information card for entry 7160602

Structure parameters

• Formula: C26 H25 F3 O
• Calculated formula: C26 H25 F3 O
• Title of publication: Dual photoredox/palladium-catalyzed three-component reaction for the synthesis of trifluoromethylated allylic alcohols.
• Authors of publication: Wang, Xiao-Lin; Rupa, Kavuri; Zheng, Sheng-Cai; Zhao, Xiaoming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 28
• Pages of publication: 6687 - 6693
• a: 9.6418 ± 0.0005 Å
• b: 10.6417 ± 0.0007 Å
• c: 11.9051 ± 0.0007 Å
• α: 110.343 ± 0.002°
• β: 93.003 ± 0.002°
• γ: 114.109 ± 0.002°
• Cell volume: 1018.1 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No