Information card for entry 7125015

Structure parameters

• Formula: C40 H26 B F15 Na O7 P
• Calculated formula: C40 H26 B F15 Na O7 P
• SMILES: [B](OP(=[O][Na]1234[O]5CC[O]1CC[O]3CC[O]4CC[O]2CC5)(c1ccccc1)c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(F)c(F)c(c1F)F
• Title of publication: Increasing the Brønsted acidity of Ph2PO2H by the Lewis acid B(C6F5)3. Formation of an eight-membered boraphosphinate ring [Ph2POB(C6F5)2O]2.
• Authors of publication: Kather, Ralf; Rychagova, Elena; Sanz Camacho, Paula; Ashbrook, Sharon E.; Woollins, J. Derek; Robben, Lars; Lork, Enno; Ketkov, Sergey; Beckmann, Jens
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 73
• Pages of publication: 10992 - 10995
• a: 10.0891 ± 0.0006 Å
• b: 18.9802 ± 0.0011 Å
• c: 20.8742 ± 0.0012 Å
• α: 90°
• β: 93.041 ± 0.002°
• γ: 90°
• Cell volume: 3991.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No