Information card for entry 4030707

Structure parameters

• Formula: C18 H19 N O4 S
• Calculated formula: C18 H19 N O4 S
• SMILES: C(c1ccccc1)N(/C=C/C(=O)OC)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Aza-Wacker-Type Reaction between Electron-Deficient Olefins and N-Alkylsulfonamides.
• Authors of publication: Hu, Huayou; Tian, Jiaxin; Liu, Yun; Liu, Yong; Shi, Fei; Wang, Xiang; Kan, Yuhe; Wang, Chao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 5
• Pages of publication: 2842 - 2847
• a: 9.167 ± 0.006 Å
• b: 20.155 ± 0.014 Å
• c: 10.011 ± 0.007 Å
• α: 90°
• β: 105.418 ± 0.016°
• γ: 90°
• Cell volume: 1783 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No