Information card for entry 7721075

Structure parameters

• Common name: trans-(4-phenyl-B-perfluorophenyl)-1-N-methyl-4-phenyl-5,10-B-dihydrobenzo-imidazolylidene hydrido-perfluorophenylborane
• Chemical name: trans-(4-phenyl-B-perfluorophenyl)-1-N-methyl-4-phenyl-5,10-B-dihydrobenzo-imidazolylidene hydrido-perfluorophenylborane
• 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: 21.091 ± 0.0009 Å
• b: 5.8372 ± 0.0002 Å
• c: 15.3641 ± 0.0006 Å
• α: 90°
• β: 90.2294 ± 0.0019°
• γ: 90°
• Cell volume: 1891.5 ± 0.13 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: 0.0296
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No