Information card for entry 4125086

Structure parameters

• Formula: C10 H11 N O3 S
• Calculated formula: C10 H11 N O3 S
• SMILES: S1(=O)(=O)Oc2ccccc2[C@H](N1)/C=C/C
• Title of publication: Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.
• Authors of publication: Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 20
• Pages of publication: 6571 - 6576
• a: 9.1983 ± 0.001 Å
• b: 16.7173 ± 0.0018 Å
• c: 13.7123 ± 0.0015 Å
• α: 90°
• β: 90.549 ± 0.002°
• γ: 90°
• Cell volume: 2108.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No