Information card for entry 7160086

Structure parameters

• Formula: C25 H20 Br F2 N O2
• Calculated formula: C25 H20 Br F2 N O2
• Title of publication: NHC catalyzed radical tandem cyclization: an efficient synthesis of α,α-difluoro-γ-lactam derivatives.
• Authors of publication: Huang, Tianjiao; Yin, Huiping; Li, Tuanjie; Yu, Chenxia; Zhang, Kai; Yao, Changsheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 34
• Pages of publication: 6988 - 6998
• a: 8.799 ± 0.0013 Å
• b: 25.874 ± 0.004 Å
• c: 10.0568 ± 0.0014 Å
• α: 90°
• β: 103.338 ± 0.008°
• γ: 90°
• Cell volume: 2227.8 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No