Information card for entry 4037306

Structure parameters

• Formula: C31 H35 Au F6 N2 P Sb
• Calculated formula: C31 H35 Au F6 N2 P Sb
• SMILES: [Au]([P](C(C)(C)C)(C(C)(C)C)c1ccccc1c1ccccc1)[n]1n2c(c3c1cccc3)cccc2.[Sb](F)(F)(F)(F)(F)[F-]
• 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: 9.6007 ± 0.0019 Å
• b: 18.225 ± 0.004 Å
• c: 19.435 ± 0.004 Å
• α: 105.32 ± 0.03°
• β: 91.26 ± 0.03°
• γ: 96.56 ± 0.03°
• Cell volume: 3253.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No