Information card for entry 1504047

Structure parameters

• Formula: C13 H29 N O3 S
• Calculated formula: C13 H29 N O3 S
• SMILES: S(=O)(N[C@H]1CCCC[C@@]1(O)C(C)C)C(C)(C)C.O
• Title of publication: SmI2-promoted intramolecular asymmetric pinacol-type ketone-tert-butanesulfinyl imine reductive coupling: stereoselectivity and mechanism.
• Authors of publication: Wang, Bing; Wang, Yong-Jun
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3410 - 3413
• a: 6.252 ± 0.003 Å
• b: 14.188 ± 0.007 Å
• c: 18.445 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1636.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No