Information card for entry 1576054

Structure parameters

• Formula: C43.5 H43.5 F2 N2 O5
• Calculated formula: C43.5 H43.5 F2 N2 O5
• Title of publication: Diselenide-enabled photocatalytic hydroazolation of <i>gem</i>-difluoroalkenes.
• Authors of publication: Abd El-Gaber, Mohammed K; Herrick, Ryan M.; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 22701 - 22710
• a: 43.884 ± 0.009 Å
• b: 5.5853 ± 0.0012 Å
• c: 15.05 ± 0.002 Å
• α: 90°
• β: 92.925 ± 0.012°
• γ: 90°
• Cell volume: 3684 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0848
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No