Information card for entry 4132177

Structure parameters

• Formula: C24 H21 F O6 S
• Calculated formula: C24 H21 F O6 S
• Title of publication: Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.
• Authors of publication: Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 14
• Pages of publication: 4797 - 4802
• a: 5.2733 ± 0.0003 Å
• b: 10.7709 ± 0.0006 Å
• c: 37.817 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2147.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No