Information card for entry 4034677

Structure parameters

• Formula: C23 H20 N2 O2 S2
• Calculated formula: C23 H20 N2 O2 S2
• SMILES: S(c1c2ncc(c3ccccc3)cc2ccc1)(=NS(=O)(=O)c1ccc(cc1)C)C
• Title of publication: Ligand-Free, Quinoline N-Assisted Copper-Catalyzed Nitrene Transfer Reaction To Synthesize 8-Quinolylsulfimides.
• Authors of publication: Xiao, Xinsheng; Huang, Sanping; Tang, Shanshan; Jia, Guokai; Ou, Guangchuan; Li, Yangyan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 12
• Pages of publication: 7618 - 7629
• a: 10.06 ± 0.009 Å
• b: 19.154 ± 0.018 Å
• c: 10.988 ± 0.01 Å
• α: 90°
• β: 92.904 ± 0.012°
• γ: 90°
• Cell volume: 2115 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.088
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No