Information card for entry 7134117

Structure parameters

• Formula: C22 H26 F3 Ir N2 O
• Calculated formula: C22 H26 F3 Ir N2 O
• Title of publication: Electrochemistry-enabled Ir-catalyzed C-H/N-N bond activation facilitates [3+2] annulation of phenidones with propiolates.
• Authors of publication: Zhao, LuLu; Yang, Jianjing; Yan, Kelu; Cheng, Xingda; Xiao, Ziyang; Wen, Jiangwei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 10
• Pages of publication: 2079 - 2082
• a: 13.152 ± 0.002 Å
• b: 13.561 ± 0.002 Å
• c: 14.16 ± 0.002 Å
• α: 75.977 ± 0.005°
• β: 83.773 ± 0.005°
• γ: 62.963 ± 0.004°
• Cell volume: 2182.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No