Information card for entry 7155718

Structure parameters

• Formula: C19 H23 N O2 S2
• Calculated formula: C19 H23 N O2 S2
• SMILES: S(=O)(=O)(N1CCCC1CSc1ccc(C)cc1)c1ccc(C)cc1
• Title of publication: Intermolecular Sulfenoamination of Alkenes with Sulfonylamides and N-Sulfanylsuccinimides to Access beta-Sulfonylamino Sulfides and Dihydrobenzothiazines
• Authors of publication: Liu, Tao; Tian, Jun; Gao, Wenchao; Chang, Hong hong; Liu, Qiang; Li, Xing; Wei, Wen long
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 10.7682 ± 0.0005 Å
• b: 18.6312 ± 0.0008 Å
• c: 10.2412 ± 0.0005 Å
• α: 90°
• β: 110.113 ± 0.001°
• γ: 90°
• Cell volume: 1929.34 ± 0.15 ų
• Cell temperature: 284 ± 2 K
• Ambient diffraction temperature: 284 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No