Information card for entry 4133193

Structure parameters

• Formula: C11 H14 O6
• Calculated formula: C11 H15 O6
• SMILES: O(C(=O)C1(C(=O)OC)[C@@H]2C(=O)O[C@H]1CCC2)C.O(C(=O)C1(C(=O)OC)[C@H]2C(=O)O[C@@H]1CCC2)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: 14.7312 ± 0.0014 Å
• b: 10.3767 ± 0.001 Å
• c: 15.206 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2324.4 ± 0.4 ų
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.117
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No