Information card for entry 4129195

Structure parameters

• Formula: C30 H27 F6 Ir O2
• Calculated formula: C30 H27 F6 Ir O2
• Title of publication: Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.
• Authors of publication: Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 8.4215 ± 0.0005 Å
• b: 12.5098 ± 0.0006 Å
• c: 14.2452 ± 0.0007 Å
• α: 84.708 ± 0.002°
• β: 75.309 ± 0.002°
• γ: 80.479 ± 0.002°
• Cell volume: 1429.7 ± 0.13 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: 0.0281
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No