Information card for entry 4124918

Structure parameters

• Formula: C15 H18 N2 O2
• Calculated formula: C15 H18 N2 O2
• SMILES: N1(C(=O)C(\C1=N/OC)=C/c1ccccc1)C(C)(C)C
• Title of publication: Pd-Catalyzed α-Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams.
• Authors of publication: Kong, Wei-Jun; Liu, Yue-Jin; Xu, Hui; Chen, Yan-Qiao; Dai, Hui-Xiong; Yu, Jin-Quan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 7
• Pages of publication: 2146 - 2149
• a: 7.237 ± 0.003 Å
• b: 11.544 ± 0.005 Å
• c: 16.87 ± 0.008 Å
• α: 90°
• β: 94.546 ± 0.009°
• γ: 90°
• Cell volume: 1405 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1289
• Residual factor for significantly intense reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.2936
• Weighted residual factors for all reflections included in the refinement: 0.3171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No