Information card for entry 4104845

Structure parameters

• Formula: C30 H45 B N2 O2 S2
• Calculated formula: C30 H41 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: 9.66 ± 0.003 Å
• b: 17.181 ± 0.005 Å
• c: 18.96 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3146.8 ± 1.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.754
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No