Information card for entry 4065308

Structure parameters

• Formula: C69 H57 B F4 N2
• Calculated formula: C69 H57 B F4 N2
• SMILES: [B](F)(F)(F)[F-].c1n(c2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C(c2ccccc2)c2ccccc2)cc[n+]1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
• Title of publication: Influence of a Very BulkyN-Heterocyclic Carbene in Gold-Mediated Catalysis
• Authors of publication: Gómez-Suárez, Adrián; Ramón, Rubén S.; Songis, Olivier; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5463
• a: 23.094 ± 0.016 Å
• b: 9.552 ± 0.006 Å
• c: 25.588 ± 0.018 Å
• α: 90°
• β: 104.636 ± 0.019°
• γ: 90°
• Cell volume: 5461 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1323
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No