Information card for entry 4129442

Structure parameters

• Chemical name: Iminium tetrafluoroborate 9
• Formula: C42 H65 B Cl2 F4 N2 O
• Calculated formula: C42 H65 B Cl2 F4 N2 O
• Title of publication: Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.
• Authors of publication: Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 23
• Pages of publication: 7519 - 7525
• a: 12.3686 ± 0.0005 Å
• b: 10.8693 ± 0.0005 Å
• c: 31.829 ± 0.0012 Å
• α: 90°
• β: 100.487 ± 0.003°
• γ: 90°
• Cell volume: 4207.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No