Information card for entry 7109635

Structure parameters

• Formula: C10 H14 F3 N O3 S
• Calculated formula: C10 H14 F3 N O3 S
• SMILES: S(N[C@@H]([C@H]1OC(=O)C=C1)C(F)(F)F)(=O)C(C)(C)C
• Title of publication: Lewis acid-catalyzed regioselective synthesis of chiral alpha-fluoroalkyl amines via asymmetric addition of silyl dienolates to fluorinated sulfinylimines
• Authors of publication: Yingle Liu; Jiawang Liu; Yangen Huang; Feng-Ling Qing
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7492
• a: 8.331 ± 0.003 Å
• b: 9.435 ± 0.004 Å
• c: 9.034 ± 0.004 Å
• α: 90°
• β: 110.722 ± 0.007°
• γ: 90°
• Cell volume: 664.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No