Information card for entry 1556000

Structure parameters

• Formula: C19 H24 N2 O2 S
• Calculated formula: C19 H24 N2 O2 S
• SMILES: S(/N=C(/OC)[C@@H](Nc1ccccc1)c1ccccc1)(C(C)(C)C)=O
• Title of publication: Diastereoselective Electrophilic α-Hydroxyamination of N-tert-Butanesulfinyl Imidates.
• Authors of publication: Ma, Peng-Ju; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 670 - 673
• a: 11.0611 ± 0.0004 Å
• b: 6.743 ± 0.0003 Å
• c: 13.0444 ± 0.0005 Å
• α: 90°
• β: 102.392 ± 0.003°
• γ: 90°
• Cell volume: 950.25 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0449
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No