Information card for entry 1571787

Structure parameters

• Formula: C18 H12 F2 O2
• Calculated formula: C18 H12 F2 O2
• Title of publication: Divergent functionalization of alkenes enabled by photoredox activation of CDFA and α-halo carboxylic acids.
• Authors of publication: Giri, Rahul; Zhilin, Egor; Katayev, Dmitry
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 27
• Pages of publication: 10659 - 10667
• a: 10.05628 ± 0.00017 Å
• b: 5.8382 ± 0.00012 Å
• c: 23.8712 ± 0.0004 Å
• α: 90°
• β: 100.565 ± 0.0017°
• γ: 90°
• Cell volume: 1377.73 ± 0.04 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No