Information card for entry 7244381

Structure parameters

• Formula: C13 H17 N O2
• Calculated formula: C13 H17 N O2
• SMILES: O=N1=C(CCC1C(O)(C)C)c1ccccc1
• Title of publication: Copper-catalyzed aerobic hydroxyamination of alkenes of unsaturated keto oximes in EtOH toward cyclic nitrones
• Authors of publication: Liu, Xiao-Dong; Wang, Qiu-An; Zhu, Yan-Ping; Peng, Zhi-Hong; Li, Jin-Heng
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 2476 - 2482
• a: 10.1132 ± 0.0013 Å
• b: 5.7769 ± 0.0007 Å
• c: 20.392 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1191.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No