Information card for entry 7124826

Structure parameters

• Formula: C34 H41 F5 N2
• Calculated formula: C34 H41 F5 N2
• Title of publication: Activation of C-F bonds in fluoroarenes by N-heterocyclic carbenes as an effective route to synthesize abnormal NHC complexes.
• Authors of publication: Kim, Youngsuk; Lee, Eunsung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 72
• Pages of publication: 10922 - 10925
• a: 18.227 ± 0.007 Å
• b: 17.04 ± 0.006 Å
• c: 20.143 ± 0.008 Å
• α: 90°
• β: 101.779 ± 0.013°
• γ: 90°
• Cell volume: 6124 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No