Information card for entry 4125374

Structure parameters

• Formula: C39 H36 B Cl2 F10 O2 P
• Calculated formula: C39 H36 B Cl2 F10 O2 P
• SMILES: [P+](c1cc2c(c3O[B](Oc3c3c2cccc3)(c2c(c(c(c(c2F)F)F)F)F)c2c(F)c(F)c(F)c(c2F)F)cc1)(C(C)(C)C)(C(C)(C)C)C(C)(C)C.ClCCl
• 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: 12.1938 ± 0.0019 Å
• b: 12.1954 ± 0.0017 Å
• c: 14.403 ± 0.002 Å
• α: 95.074 ± 0.008°
• β: 104.765 ± 0.008°
• γ: 110.31 ± 0.007°
• Cell volume: 1905 ± 0.5 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No