Information card for entry 7120479

Structure parameters

• Formula: C32 H32 B F15 N O3 P
• Calculated formula: C32 H32 B F15 N O3 P
• SMILES: P(=O)(OCC)(OCC)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[NH+]1(C(CCCC1(C)C)(C)C)C
• Title of publication: Activation of P-H Bond by a Frustrated Lewis Pair and its Application in Catalytic Z-selective Hydrophosphonylation of Terminal Ynones
• Authors of publication: Liu, Yizhen; Fan, Xiaoting; Li, Zhenhua; Wang, Huadong
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 12.1359 ± 0.0014 Å
• b: 14.9346 ± 0.0018 Å
• c: 19.614 ± 0.002 Å
• α: 90°
• β: 99.758 ± 0.002°
• γ: 90°
• Cell volume: 3503.5 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No