Information card for entry 7128806

Structure parameters

• Formula: C26 H32 N2 O8
• Calculated formula: C26 H32 N2 O8
• SMILES: O(C(C)(C)C)C(=O)N1C(=O)[C@]2([C@H](C(=O)OC(C)(C)C)[C@@]3(O[C@]2(N(C)C3=O)C)C(=O)C)c2c1cccc2
• Title of publication: Catalytic asymmetric [3+2] cycloaddition of isomünchnones with methyleneindolinones
• Authors of publication: Wang, Kaixuan; Xu, Chaoran; Hu, Xinyue; Zhou, Yuqiao; Lin, Lili; Feng, Xiaoming
• Journal of publication: Chemical Communications
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 71
• Pages of publication: 8917 - 8920
• a: 10.2902 ± 0.0003 Å
• b: 13.8257 ± 0.0004 Å
• c: 18.5139 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2633.96 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No