Information card for entry 7119570

Structure parameters

• Formula: C32 H38 N2 O7
• Calculated formula: C32 H38 N2 O7
• SMILES: O(C(C)(C)C)C(=O)N1c2ccc(C)cc2[C@]2(C1=O)[C@H](C(=O)OC(C)(C)C)CC=C[C@H]2NC(=O)OCc1ccccc1
• Title of publication: Highly diastereo- and enantioselective synthesis of spirooxindole-cyclohexaneamides through N,N'-dioxide/Ni(ii)-catalyzed Diels-Alder reactions.
• Authors of publication: Zhou, Yuhang; Lu, Yan; Hu, Xinyue; Mei, Hongjiang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 2060 - 2063
• a: 10.6636 ± 0.0003 Å
• b: 13.5571 ± 0.0003 Å
• c: 21.8099 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3153 ± 0.16 ų
• Cell temperature: 295.3 ± 1 K
• Ambient diffraction temperature: 295.3 ± 1 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: 0.0712
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No