Information card for entry 1553560

Structure parameters

• Formula: C15 H21 N O3 S
• Calculated formula: C15 H21 N O3 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)C1C(=N\O)\CCCCCC1
• Title of publication: tert-Butyl nitrite-mediated vicinal sulfoximation of alkenes with sulfinic acids: a highly efficient approach toward α-sulfonyl ketoximes
• Authors of publication: Chen, Fei; Zhou, Neng-Neng; Zhan, Jun-Long; Han, Bing; Yu, Wei
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 135
• a: 25.961 ± 0.0017 Å
• b: 5.793 ± 0.0003 Å
• c: 22.2512 ± 0.0017 Å
• α: 90°
• β: 114.088 ± 0.009°
• γ: 90°
• Cell volume: 3055 ± 0.4 ų
• Cell temperature: 293.64 ± 0.1 K
• Ambient diffraction temperature: 293.64 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No