Information card for entry 7129349

Structure parameters

• Formula: C34 H19 F3 N2 O3 S
• Calculated formula: C34 H19 F3 N2 O3 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.n12c3ccccc3c3cccc4c5ccccc5[n+](c1c34)c1c2c2ccccc2c2ccccc12
• Title of publication: Synthesis of cationic π-extended imidazolium salts by sequential Cu-catalyzed arylation/annulation and photocyclization
• Authors of publication: Wang, Tianbao; Zheng, Qinze; Wang, Linhua; Huang, Zhenmei; Zhang, Huaxing; Zhang, Yuming; Zhang, Cheng; Gao, Ge
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 9.3567 ± 0.0006 Å
• b: 10.7079 ± 0.0006 Å
• c: 14.3234 ± 0.0008 Å
• α: 81.633 ± 0.005°
• β: 87.519 ± 0.005°
• γ: 83.289 ± 0.005°
• Cell volume: 1409.56 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1117
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No