Information card for entry 7130142

Structure parameters

• Formula: C26 H23 F3 N2 O3
• Calculated formula: C26 H23 F3 N2 O3
• Title of publication: Ir(III)-catalyzed quadruple C−H activation of N-arylimidazolium and diaryliodonium salts: facile access to polysubstituted imidazo[1,2-f]phenanthridiniums
• Authors of publication: Liu, Zheng; Li, Qian; Yang, Chengyong; Zheng, Xuesong; Wu, Di; Gao, Ge; Lan, Jingbo
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.9876 ± 0.0004 Å
• b: 10.9369 ± 0.0006 Å
• c: 13.1476 ± 0.0007 Å
• α: 84.081 ± 0.005°
• β: 83.827 ± 0.005°
• γ: 81.2 ± 0.005°
• Cell volume: 1124.07 ± 0.1 ų
• Cell temperature: 297.4 ± 0.3 K
• Ambient diffraction temperature: 297.4 ± 0.3 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: 0.0968
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.2704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No