Information card for entry 7229581

Structure parameters

• Chemical name: (E)-1-phenyl-2-tosylethanone oxime
• Formula: C15 H15 N O3 S
• Calculated formula: C15 H15 N O3 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)CC(=N\O)/c1ccccc1
• Title of publication: Base-mediated tandem sulfonylation and oximation of alkenes in water
• Authors of publication: Wang, Bin; Tang, Lin; Liu, Liyan; Li, Yanan; Yu, Yang; Wang, Zhiyong
• Journal of publication: Green Chemistry
• Year of publication: 2017
• a: 15.2479 ± 0.0004 Å
• b: 5.5541 ± 0.0001 Å
• c: 16.8079 ± 0.0003 Å
• α: 90°
• β: 95.501 ± 0.002°
• γ: 90°
• Cell volume: 1416.88 ± 0.05 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No