Information card for entry 4036149

Structure parameters

• Formula: C14 H18 Cl3 N O2 S
• Calculated formula: C14 H18 Cl3 N O2 S
• SMILES: ClC(Cl)(Cl)[C@@H](OC(=O)N=S(C)C(C)(C)C)c1ccccc1
• Title of publication: Stereoselective synthesis of chiral sulfilimines from N-mesyloxycarbamates: metal-nitrenes versus metal-nitrenoids species.
• Authors of publication: Lebel, Hélène; Piras, Henri
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 7
• Pages of publication: 3572 - 3585
• a: 10.723 ± 0.0004 Å
• b: 6.055 ± 0.0002 Å
• c: 13.7208 ± 0.0005 Å
• α: 90°
• β: 105.927 ± 0.001°
• γ: 90°
• Cell volume: 856.66 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No