Information card for entry 7128758

Structure parameters

• Formula: C28 H29 I N2 O6
• Calculated formula: C28 H29 I N2 O6
• SMILES: Ic1ccc(C(=O)Nc2cccc3cccnc23)c(c1)[C@H]1O[C@@H]([C@@H]2OC(O[C@H]12)(C)C)[C@@H]1OC(OC1)(C)C
• Title of publication: Highly regioselective and stereoselective synthesis of C-Aryl glycosides <i>via</i> nickel-catalyzed <i>ortho</i>-C-H glycosylation of 8-aminoquinoline benzamides.
• Authors of publication: Shi, Wei-Yu; Ding, Ya-Nan; Zheng, Nian; Gou, Xue-Ya; Zhang, Zhe; Chen, Xi; Luan, Yu-Yong; Niu, Zhi-Jie; Liang, Yong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 71
• Pages of publication: 8945 - 8948
• a: 11.683 ± 0.0001 Å
• b: 11.683 ± 0.0001 Å
• c: 39.0801 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5334.14 ± 0.08 ų
• Cell temperature: 301 ± 0.1 K
• Ambient diffraction temperature: 301 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No