Information card for entry 7129350

Structure parameters

• Formula: C25 H15 B F4 N2
• Calculated formula: C25 H15 B F4 N2
• SMILES: [B](F)(F)(F)[F-].n12c3ccccc3c3cccc4c5c([n+](c1c34)c1c2cccc1)cccc5
• 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: 8.4814 ± 0.0004 Å
• b: 14.584 ± 0.0009 Å
• c: 16.2845 ± 0.001 Å
• α: 90°
• β: 103.547 ± 0.002°
• γ: 90°
• Cell volume: 1958.23 ± 0.19 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No