Information card for entry 7118201

Structure parameters

• Formula: C43 H37 B F15 O P Si
• Calculated formula: C43 H37 B F15 O P Si
• SMILES: [P+]1([C@H]([C@@H]1C[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)CO[Si](C)(C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[P+]1([C@@H]([C@H]1C[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)CO[Si](C)(C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Cyclopropane formation under frustrated Lewis pair conditions.
• Authors of publication: Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 13
• Pages of publication: 2695 - 2697
• a: 10.8091 ± 0.0002 Å
• b: 25.3584 ± 0.0003 Å
• c: 16.9567 ± 0.0004 Å
• α: 90°
• β: 96.133 ± 0.001°
• γ: 90°
• Cell volume: 4621.25 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No