Information card for entry 4125385

Structure parameters

• Formula: C40 H35 B F10 N2 O2
• Calculated formula: C40 H35 B F10 N2 O2
• Title of publication: Reactions of Boron-Derived Radicals with Nucleophiles.
• Authors of publication: Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 1
• Pages of publication: 426 - 435
• a: 17.84 ± 0.002 Å
• b: 11.2767 ± 0.0013 Å
• c: 18.421 ± 0.002 Å
• α: 90°
• β: 106.581 ± 0.005°
• γ: 90°
• Cell volume: 3551.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1573
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No