Information card for entry 4125378

Structure parameters

• Formula: C68 H40 B2 Cl4 F20 N4 O4
• Calculated formula: C67.994 H39.988 B2 Cl3.988 F20 N4 O4
• 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: 11.331 ± 0.003 Å
• b: 14.461 ± 0.004 Å
• c: 20.313 ± 0.005 Å
• α: 79.494 ± 0.014°
• β: 76.28 ± 0.013°
• γ: 80.221 ± 0.014°
• Cell volume: 3151.2 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1675
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No