Information card for entry 4134850

Structure parameters

• Formula: C15 H17 Cl3 N2 O3 S
• Calculated formula: C15 H17 Cl3 N2 O3 S
• Title of publication: Role of Electron-Deficient Olefin Ligands in a Ni-Catalyzed Aziridine Cross-Coupling To Generate Quaternary Carbons.
• Authors of publication: Estrada, Jesús G; Williams, Wendy L.; Ting, Stephen I.; Doyle, Abigail G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.4 ± 0.004 Å
• b: 9.556 ± 0.004 Å
• c: 13.814 ± 0.008 Å
• α: 104.002 ± 0.018°
• β: 101.714 ± 0.019°
• γ: 100.72 ± 0.02°
• Cell volume: 899.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No