Information card for entry 4132178

Structure parameters

• Formula: C11 H12.5 F N O4.25 S
• Calculated formula: C11 H12.5 F N O4.25 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: 17.8047 ± 0.0004 Å
• b: 17.8047 ± 0.0004 Å
• c: 6.9972 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1920.99 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 171
• Hermann-Mauguin space group symbol: P 62
• Hall space group symbol: P 62
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No