Information card for entry 1545276

Structure parameters

• Formula: C22 H19 N O6 S2
• Calculated formula: C22 H19 N O6 S2
• SMILES: c12ccccc1C(=O)OC2(C)CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
• Title of publication: Access to Aminated Saturated Oxygen Heterocycles via Copper-Catalyzed Aminooxygenation of Alkenes.
• Authors of publication: Xie, Jian; Wang, Yue-Wei; Qi, Lian-Wen; Zhang, Bo
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1148 - 1151
• a: 8.5085 ± 0.0009 Å
• b: 10.5638 ± 0.0012 Å
• c: 23.179 ± 0.003 Å
• α: 90°
• β: 92.665 ± 0.002°
• γ: 90°
• Cell volume: 2081.1 ± 0.4 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: 0.0469
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No