Information card for entry 1555126

Structure parameters

• Formula: C13 H19 N O3 S
• Calculated formula: C13 H19 N O3 S
• SMILES: S(=O)(=O)(N[C@H]1[C@@H](OCC1)CC)c1ccc(cc1)C
• Title of publication: Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.
• Authors of publication: Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3956 - 3959
• a: 7.789 ± 0.002 Å
• b: 11.669 ± 0.003 Å
• c: 15.029 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1366 ± 0.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0361
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No