Information card for entry 1547639

Structure parameters

• Formula: C17 H18 N2 O4 S
• Calculated formula: C17 H18 N2 O4 S
• SMILES: S(=O)(=O)(N[C@H](CC)/C=C/c1ccccc1)c1ccc(N(=O)=O)cc1
• Title of publication: Enantioselective Rhodium-Catalyzed Alkenylation of Aliphatic Imines.
• Authors of publication: Qian, Xue-Wei; Xue, Ze-Jian; Zhao, Qian; Cui, Zhe; Chen, Ya-Jing; Feng, Chen-Guo; Lin, Guo-Qiang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 20
• Pages of publication: 5601 - 5604
• a: 7.426 ± 0.0017 Å
• b: 11.292 ± 0.003 Å
• c: 20.718 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1737.3 ± 0.7 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: 0.0462
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No