Information card for entry 7721073

Structure parameters

• Common name: N-benzhydryl-N?-methyl-imidazolylidene borane
• Chemical name: (1-benzhydryl-3-methyl-1H-imidazol-3-ium-2-yl)trihydroborate
• Formula: C17 H19 B N2
• Calculated formula: C17 H19 B 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: 10.0181 ± 0.0002 Å
• b: 8.9143 ± 0.0002 Å
• c: 17.1117 ± 0.0003 Å
• α: 90°
• β: 93.4888 ± 0.0006°
• γ: 90°
• Cell volume: 1525.32 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No