Information card for entry 1554866

Structure parameters

• Formula: C24 H24 O6
• Calculated formula: C24 H24 O6
• SMILES: O(C(=O)C1([C@@H]([C@@H](C(=O)c2ccccc2O)[C@@H](C=C)C1)c1ccccc1)C(=O)OC)C.O(C(=O)C1([C@H]([C@H](C(=O)c2ccccc2O)[C@H](C=C)C1)c1ccccc1)C(=O)OC)C
• Title of publication: Palladium-catalyzed diastereo- and enantioselective formal [3 + 2] cycloaddition of vinyl cyclopropanes with cyclic 1-azadienes
• Authors of publication: Zhou, Qing; Chen, Bo; Huang, Xiao-Bing; Zeng, Ya-Li; Chu, Wen-Dao; He, Long; Liu, Quan-Zhong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 1891
• a: 10.3133 ± 0.0004 Å
• b: 11.2328 ± 0.0004 Å
• c: 19.0954 ± 0.0008 Å
• α: 90°
• β: 99.604 ± 0.002°
• γ: 90°
• Cell volume: 2181.14 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No