Information card for entry 7721076

Structure parameters

• Common name: cis-1-methyl-10-(perfluorophenyl)-5-phenyl-5,10-dihydrobenzo[d]imidazo [1,2-a][1,3]azaborinin-1-ium-10-uide
• Chemical name: cis-1-methyl-10-(perfluorophenyl)-5-phenyl-5,10-dihydrobenzo[d]imidazo [1,2-a][1,3]azaborinin-1-ium-10-uide
• Formula: C23 H16 B F5 N2
• Calculated formula: C23 H16 B F5 N2
• Title of publication: Accessing chiral NHC-boranes by abstraction of C6F5 from the B(C6F5)4− weakly coordinating anion
• Authors of publication: Niessen, Nicolas; Adjieufack, Abel Idrice; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Berionni, Guillaume; Bijouard, Kajetan
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 10.8466 ± 0.0001 Å
• b: 12.4844 ± 0.0002 Å
• c: 15.0059 ± 0.0002 Å
• α: 90°
• β: 106.481 ± 0.001°
• γ: 90°
• Cell volume: 1948.51 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No