Information card for entry 7126776

Structure parameters

• Formula: C45 H46 B F10 P
• Calculated formula: C45 H46 B F10 P
• Title of publication: A rare olefin 1,1-carboboration reaction opens a synthetic pathway to an unusually structured frustrated Lewis pair.
• Authors of publication: Chen, Chaohuang; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 62
• Pages of publication: 8806 - 8809
• a: 8.6994 ± 0.0002 Å
• b: 23.0965 ± 0.0006 Å
• c: 20.3461 ± 0.0006 Å
• α: 90°
• β: 94.248 ± 0.001°
• γ: 90°
• Cell volume: 4076.82 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No