Information card for entry 4125377

Structure parameters

• Formula: C44 H22 B F10 O2 P
• Calculated formula: C44 H22 B F10 O2 P
• SMILES: [P+](c1c2c3O[B](Oc3c3ccccc3c2ccc1)(c1c(c(c(F)c(c1F)F)F)F)c1c(F)c(F)c(c(F)c1F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.5384 ± 0.0009 Å
• b: 12.434 ± 0.001 Å
• c: 14.3574 ± 0.0011 Å
• α: 100.016 ± 0.003°
• β: 103.12 ± 0.003°
• γ: 112.579 ± 0.003°
• Cell volume: 1772.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1712
• 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: No
• Has Fobs: No