Information card for entry 4032408

Structure parameters

• Formula: C28 H32 Br2 N4 O6
• Calculated formula: C28 H32 Br2 N4 O6
• SMILES: Brc1cc2c(N(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@]2(c3c(N(C2=O)C)ccc(Br)c3)NC(=O)OC(C)(C)C)C)cc1.Brc1cc2c(N(C(=O)[C@@]2(NC(=O)OC(C)(C)C)[C@]2(c3c(N(C2=O)C)ccc(Br)c3)NC(=O)OC(C)(C)C)C)cc1
• 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: 11.8 ± 0.002 Å
• b: 12.63 ± 0.003 Å
• c: 13.63 ± 0.003 Å
• α: 68.074 ± 0.006°
• β: 70.491 ± 0.006°
• γ: 81.465 ± 0.006°
• Cell volume: 1775.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No