Information card for entry 4133195

Structure parameters

• Formula: C22 H25 N O7
• Calculated formula: C22 H25 N O7
• SMILES: O(C(=O)C1(C(=O)OC)[C@H]2OC(=O)[C@@H]1CC1(CCN(C(=O)c3ccccc3)CC1)C2)C.O(C(=O)C1(C(=O)OC)[C@@H]2OC(=O)[C@H]1CC1(CCN(C(=O)c3ccccc3)CC1)C2)C
• Title of publication: Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.
• Authors of publication: Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 42
• Pages of publication: 13580 - 13585
• a: 13.5011 ± 0.0009 Å
• b: 6.1459 ± 0.0004 Å
• c: 24.3994 ± 0.0014 Å
• α: 90°
• β: 105.244 ± 0.002°
• γ: 90°
• Cell volume: 1953.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.99 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: 0.0838
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No