Information card for entry 4120827

Structure parameters

• Formula: C30 H22 B3 F12 N6 Pd
• Calculated formula: C30 H22 B3 F12 N6 Pd
• Title of publication: Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives
• Authors of publication: Anthony R. Mazzotti; Michael G. Campbell; Pingping Tang; Jennifer M. Murphy; Tobias Ritter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 14012 - 14015
• a: 15.0771 ± 0.0006 Å
• b: 17.672 ± 0.0007 Å
• c: 15.6002 ± 0.0006 Å
• α: 90°
• β: 99.83 ± 0.001°
• γ: 90°
• Cell volume: 4095.5 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No