Information card for entry 4124565

Structure parameters

• Common name: M4
• Chemical name: toste135
• Formula: C23 H23 F N2 O5 S
• Calculated formula: C23 H23 F N2 O5 S
• Title of publication: Palladium-Catalyzed Enantioselective 1,1-Fluoroarylation of Aminoalkenes.
• Authors of publication: He, Ying; Yang, Zhenyu; Thornbury, Richard T.; Toste, F. Dean
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 38
• Pages of publication: 12207 - 12210
• a: 5.9216 ± 0.0003 Å
• b: 20.07 ± 0.001 Å
• c: 18.4872 ± 0.0009 Å
• α: 90°
• β: 96.45 ± 0.003°
• γ: 90°
• Cell volume: 2183.23 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No