Information card for entry 1544149

Structure parameters

• Formula: C47 H43 B2 Cl2 F20 P
• Calculated formula: C47 H43 B2 Cl2 F20 P
• SMILES: ClCCl.[PH+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.Fc1c(c(F)c(F)c(F)c1F)[B]12(C(CCCc3ccccc3)[B]1(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)[H]2)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Geminal bis-borane formation by borane Lewis acid induced cyclopropyl rearrangement and its frustrated Lewis pair reaction with carbon dioxide.
• Authors of publication: Liu, Yun-Lin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 1097 - 1104
• a: 10.1634 ± 0.0002 Å
• b: 14.7985 ± 0.0003 Å
• c: 17.1628 ± 0.0004 Å
• α: 96.74 ± 0.001°
• β: 97.62 ± 0.001°
• γ: 105.399 ± 0.001°
• Cell volume: 2435.05 ± 0.09 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: 0.09
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No