Information card for entry 1576058

Structure parameters

• Formula: C18 H17 F2 N3 O5
• Calculated formula: C18 H17 F2 N3 O5
• Title of publication: Diselenide-Enabled Photocatalytic Hydroazolation of gem-Difluoroalkenes
• Authors of publication: Abd El-Gaber, Mohammed K.; Herrick, Ryan; Sudhakar, Pranaya; Rana, Ashutosh; Roach, Brent A.; Dick, Jeffrey E.; Altman, Ryan A.
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 8.3337 ± 0.0003 Å
• b: 8.3855 ± 0.0003 Å
• c: 14.3817 ± 0.0005 Å
• α: 78.462 ± 0.002°
• β: 74.211 ± 0.002°
• γ: 63.557 ± 0.001°
• Cell volume: 862.29 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No