Information card for entry 7109634

Structure parameters

• Formula: C12 H21 F2 N O3 S
• Calculated formula: C12 H21 F2 N O3 S
• SMILES: S(N[C@@H]([C@H](C(=O)OCC)C=C)C(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: 9.2446 ± 0.0014 Å
• b: 9.5342 ± 0.0014 Å
• c: 9.3529 ± 0.0014 Å
• α: 90°
• β: 113.44 ± 0.002°
• γ: 90°
• Cell volume: 756.3 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No