Information card for entry 7135925

Structure parameters

• Formula: C25 H21 F3 O2
• Calculated formula: C25 H21 F3 O2
• Title of publication: Palladium-catalyzed Asymmetric Carbofluorination of gem-Difluorostyrenes with Cesium Fluoride and Allylic Acetates
• Authors of publication: Nelson, Eryn; Bisoyi, Rajesh; Wolf, Christian
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 8.9675 ± 0.0002 Å
• b: 9.7971 ± 0.0002 Å
• c: 22.7498 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1998.69 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No