Information card for entry 4032409

Structure parameters

• Formula: C40 H42 N4 O6
• Calculated formula: C40 H42 N4 O6
• SMILES: N1(c2c([C@@](NC(=O)OC(C)(C)C)([C@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)NC(=O)OC(C)(C)C)C1=O)cccc2)Cc1ccccc1.N1(c2c([C@](NC(=O)OC(C)(C)C)([C@@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)NC(=O)OC(C)(C)C)C1=O)cccc2)Cc1ccccc1
• Title of publication: Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.
• Authors of publication: Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 3895 - 3900
• a: 11.313 ± 0.003 Å
• b: 11.4 ± 0.003 Å
• c: 16.467 ± 0.005 Å
• α: 99.471 ± 0.011°
• β: 95.525 ± 0.012°
• γ: 114.446 ± 0.011°
• Cell volume: 1874.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No