Information card for entry 7125769

Structure parameters

• Formula: C17 H11 Cl F3 N O4 S
• Calculated formula: C17 H11 Cl F3 N O4 S
• Title of publication: Enantioselective (3+2) cycloaddition via N-heterocyclic carbene-catalyzed addition of homoenolates to cyclic N-sulfonyl trifluoromethylated ketimines: synthesis of fused N-heterocycle γ-lactams.
• Authors of publication: Zhang, Zhen-Zhen; Zhang, Yongna; Duan, Hui-Xin; Deng, Zhuo-Fei; Wang, You-Qing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1553 - 1556
• a: 7.5867 ± 0.0003 Å
• b: 14.1693 ± 0.0004 Å
• c: 16.4025 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1763.24 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No