Information card for entry 1555192

Structure parameters

• Formula: C19 H20 Cl N O2 S
• Calculated formula: C19 H20 Cl N O2 S
• SMILES: [C@]1(C(=O)c2ccccc2)([C@@H](c2ccccc2)N1S(C(C)(C)C)=O)Cl
• Title of publication: Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.
• Authors of publication: Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 4042 - 4045
• a: 8.434 ± 0.006 Å
• b: 9.511 ± 0.007 Å
• c: 23.843 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1913 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No