Information card for entry 1501951

Structure parameters

• Formula: C16 H26 F N O S
• Calculated formula: C16 H26 F N O S
• SMILES: S(=O)(N[C@@H](C(C)(C)C)Cc1ccc(F)cc1)C(C)(C)C
• Title of publication: Asymmetric synthesis of amines by the Knochel-type MgCl2-enhanced addition of benzyl zinc reagents to N-tert-butanesulfinyl aldimines.
• Authors of publication: Buesking, Andrew W.; Baguley, Tyler D.; Ellman, Jonathan A.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 964 - 967
• a: 8.7454 ± 0.0002 Å
• b: 10.5113 ± 0.0003 Å
• c: 18.0667 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1660.79 ± 0.13 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No