Information card for entry 7044015

Structure parameters

• Formula: C34 H43 Br N2
• Calculated formula: C34 H43 Br N2
• Title of publication: Nickel-Catalysed Direct C2-Arylation of N-Heterocyclic Carbene
• Authors of publication: Ghadwal, Rajendra S.; Ho, Nga Kim; Neumann, Beate; Stammler, Georg; Menezes da Silva, Vitor Hugo; Watanabe, Daniel; Braga, Ataualpa A. C.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.65346 ± 0.00019 Å
• b: 15.167 ± 0.0002 Å
• c: 18.314 ± 0.0003 Å
• α: 110.175 ± 0.0014°
• β: 102.379 ± 0.0013°
• γ: 96.7444 ± 0.0012°
• Cell volume: 3151.4 ± 0.09 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No