Information card for entry 4130488

Structure parameters

• Formula: C31 H34 B F10 O P
• Calculated formula: C31 H34 B F10 O P
• SMILES: [P+]1(CC(=CC[B](OC(=C=C1CC)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C)(C(C)(C)C)C(C)(C)C
• 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: 9.1467 ± 0.0002 Å
• b: 14.6625 ± 0.0003 Å
• c: 14.7129 ± 0.0004 Å
• α: 90.266 ± 0.001°
• β: 102.873 ± 0.001°
• γ: 107.489 ± 0.001°
• Cell volume: 1829.24 ± 0.08 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: 0.1153
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2207
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No