Information card for entry 4336385

Structure parameters

• Formula: C39 H19 B F15 P
• Calculated formula: C39 H19 B F15 P
• Title of publication: Reaction of Diphenylphosphanylacetylene with RB(C6F5)2 Reagents: Evidence for a Remarkable Sequence of Synergistic Frustrated Lewis Pair Addition Reactions
• Authors of publication: Jiangang Yu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11661 - 11668
• a: 11.1554 ± 0.001 Å
• b: 20.4812 ± 0.0014 Å
• c: 15.9966 ± 0.0007 Å
• α: 90°
• β: 104.768 ± 0.005°
• γ: 90°
• Cell volume: 3534.1 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No