Information card for entry 4132657

Structure parameters

• Formula: C26 H28 Br Cl3 N4 O3
• Calculated formula: C26 H28 Br Cl3 N4 O3
• SMILES: [Br-].ClC(Cl)Cl.O(c1c([n+]2nn(c(C3=CCC[C@]43NC(=O)CC4)c2)Cc2ccccc2)c(OC)ccc1)C
• Title of publication: Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine.
• Authors of publication: Chen, Si-Kai; Ma, Wen-Qiang; Yan, Zhi-Bo; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang; Zhang, Xiao-Ming; Tian, Jin-Miao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 32
• Pages of publication: 10099 - 10103
• a: 8.9983 ± 0.0011 Å
• b: 9.3045 ± 0.0015 Å
• c: 9.3473 ± 0.001 Å
• α: 110.886 ± 0.012°
• β: 93.34 ± 0.01°
• γ: 100.809 ± 0.012°
• Cell volume: 711.5 ± 0.18 ų
• Cell temperature: 245 ± 6 K
• Ambient diffraction temperature: 245 ± 6 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No