Information card for entry 7234157

Structure parameters

• Formula: C29 H25 N O2
• Calculated formula: C29 H25 N O2
• Title of publication: Copper-Catalyzed Diastereoselective O-Transfer Reaction of N-Vinyl-α,β-Unsaturated Nitrones with Ketenes into γ-Lactones through [5+2] Cycloaddition and N-O Bond Cleavage
• Authors of publication: Liao, Jun-Yi; Wu, Qing-Yan; Lu, Xiuqiang; Zou, Ning; Pan, Cheng-Xue; Liang, Cui; SU, Guifa; Mo, Dong-Liang
• Journal of publication: Green Chemistry
• Year of publication: 2019
• a: 13.123 ± 0.014 Å
• b: 11.404 ± 0.012 Å
• c: 16.76 ± 0.018 Å
• α: 90°
• β: 109.759 ± 0.017°
• γ: 90°
• Cell volume: 2361 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No