Information card for entry 7124999

Structure parameters

• Formula: C24 H18 Br P
• Calculated formula: C24 H18 Br P
• 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: 10.9091 ± 0.0003 Å
• b: 8.4128 ± 0.0002 Å
• c: 20.1396 ± 0.0005 Å
• α: 90°
• β: 94.569 ± 0.001°
• γ: 90°
• Cell volume: 1842.46 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No