Information card for entry 4130490

Structure parameters

• Formula: C35 H26 B F10 O P
• Calculated formula: C35 H26 B F10 O P
• SMILES: [P+]1(CC(=C(C2=C(O[B](CC12)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C)CC)C)(c1ccccc1)c1ccccc1
• Title of publication: Phospha-Claisen Type Reactions at Frustrated Lewis Pair Frameworks.
• Authors of publication: Chen, Guo-Qiang; Kehr, Gerald; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 27
• Pages of publication: 8554 - 8559
• a: 10.3933 ± 0.0002 Å
• b: 11.7676 ± 0.0002 Å
• c: 14.8634 ± 0.0004 Å
• α: 104.124 ± 0.001°
• β: 101.199 ± 0.001°
• γ: 111.497 ± 0.001°
• Cell volume: 1557.12 ± 0.06 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No