Information card for entry 1553544

Structure parameters

• Formula: C15 H16 N2 O3
• Calculated formula: C15 H16 N2 O3
• SMILES: O=C(N/C(c1ccccc1)=C\C1C(=O)N(C(=O)C1)C)C
• Title of publication: Cobalt(iii)-catalyzed cross-coupling of enamides with allyl acetates/maleimides
• Authors of publication: Yu, Wenlong; Zhang, Wei; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 77
• a: 9.3103 ± 0.0008 Å
• b: 4.8793 ± 0.0005 Å
• c: 30.741 ± 0.003 Å
• α: 90°
• β: 96.596 ± 0.008°
• γ: 90°
• Cell volume: 1387.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0875
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No