Information card for entry 7128200

Structure parameters

• Formula: C16 H19 N O
• Calculated formula: C16 H19 N O
• SMILES: N1(=O)=C(c2ccccc2)C([C@H]2[C@@H]1C=CCC2)(C)C
• Title of publication: External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with O-benzoylhydroxylamines.
• Authors of publication: Chen, Jiangfei; Zhu, Yan-Ping; Li, Jin-Heng; Wang, Qiu-An
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 42
• Pages of publication: 5215 - 5218
• a: 7.059 ± 0.008 Å
• b: 19.92 ± 0.02 Å
• c: 9.454 ± 0.011 Å
• α: 90°
• β: 91.125 ± 0.012°
• γ: 90°
• Cell volume: 1329 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1885
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.3191
• Weighted residual factors for all reflections included in the refinement: 0.3636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No