Information card for entry 4037303

Structure parameters

• Formula: C32 H38 Au Cl2 F6 N O2 P Sb
• Calculated formula: C32 H38 Au Cl2 F6 N O2 P Sb
• SMILES: [Au]([P](c1c(c2ccccc2)cccc1)(C(C)(C)C)C(C)(C)C)c1[n+]2CCOc2oc1c1ccccc1.[Sb](F)(F)(F)([F-])(F)F.ClCCl
• Title of publication: Gold-Catalyzed β-Regioselective Formal [3 + 2] Cycloaddition of Ynamides with Pyrido[1,2-b]indazoles: Reaction Development and Mechanistic Insights.
• Authors of publication: Yu, Yinghua; Chen, Gui; Zhu, Lei; Liao, Yun; Wu, Yufeng; Huang, Xueliang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 18
• Pages of publication: 8142 - 8154
• a: 15.502 ± 0.004 Å
• b: 17.641 ± 0.004 Å
• c: 14.182 ± 0.003 Å
• α: 90°
• β: 95.308 ± 0.005°
• γ: 90°
• Cell volume: 3861.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No