Information card for entry 1553543

Structure parameters

• Formula: C22 H21 N O2
• Calculated formula: C22 H21 N O2
• SMILES: c1cc(ccc1c1cc(C)c(c(n1)C)C(=O)OCc1ccccc1)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: 7.348 ± 0.0009 Å
• b: 22.781 ± 0.003 Å
• c: 11.236 ± 0.0015 Å
• α: 90°
• β: 101.092 ± 0.013°
• γ: 90°
• Cell volume: 1845.7 ± 0.4 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: 0.1248
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No