Information card for entry 7120313

Structure parameters

• Chemical name: di-tert-butyl (3R,3'R,5'R)-2-oxo-2',3'-diphenylspiro[indoline-3,4'-isoxazolidine]-1,5'-dicarboxylate
• Formula: C32 H34 N2 O6
• Calculated formula: C32 H34 N2 O6
• SMILES: O1N(c2ccccc2)[C@H](c2ccccc2)[C@]2([C@@H]1C(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)c1c2cccc1
• Title of publication: Chiral N,N’-Dioxide/Co(II)-Promoted Asymmetric 1,3-Dipolar Cycloaddition of Nitrones with Methyleneindolinones
• Authors of publication: Zhang, Dong; Yin, Chengkai; Zhou, Yuhang; Xu, Yali; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.21904 ± 0.00012 Å
• b: 11.88874 ± 0.00013 Å
• c: 24.5399 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2981.39 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No