Information card for entry 4104846

Structure parameters

• Formula: C41 H57 B N2 O2 S2
• Calculated formula: C41 H57 B N2 O2 S2
• Title of publication: N-Heterocyclic Carbene Boryl Radicals: A New Class of Boron-Centered Radical
• Authors of publication: Shau-Hua Ueng; Andrey Solovyev; Xinting Yuan; Steven J. Geib; Louis Fensterbank; Emmanuel Lacôte; Max Malacria; Martin Newcomb; John C. Walton; Dennis P. Curran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11256 - 11262
• a: 14.1188 ± 0.0019 Å
• b: 14.337 ± 0.002 Å
• c: 20.757 ± 0.002 Å
• α: 90°
• β: 90.754 ± 0.009°
• γ: 90°
• Cell volume: 4201.3 ± 0.9 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 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: 0.1788
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No