Information card for entry 7121753

Structure parameters

• Formula: C23 H31 B F4 N2
• Calculated formula: C23 H31 B F4 N2
• Title of publication: Ring-expanded N-heterocyclic carbenes as ligands in iron-catalysed cross-coupling reactions of arylmagnesium reagents and aryl chlorides.
• Authors of publication: Teng, Qiaoqiao; Wu, Wenqin; Duong, Hung A.; Huynh, Han Vinh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 6044 - 6047
• a: 15.5061 ± 0.0006 Å
• b: 15.3089 ± 0.0008 Å
• c: 9.2595 ± 0.0004 Å
• α: 90°
• β: 90.915 ± 0.002°
• γ: 90°
• Cell volume: 2197.75 ± 0.17 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: 0.0829
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No