Information card for entry 7112681

Structure parameters

• Formula: C37 H27 B2 F20 O3 P
• Calculated formula: C37 H27 B2 F20 O3 P
• SMILES: [P+](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)C(=O)O[B](OB(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)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Bis-boranes in the frustrated Lewis pair activation of carbon dioxide.
• Authors of publication: Zhao, Xiaoxi; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1833 - 1835
• a: 14.5904 ± 0.0011 Å
• b: 17.06 ± 0.0015 Å
• c: 16.9806 ± 0.0013 Å
• α: 90°
• β: 111.554 ± 0.004°
• γ: 90°
• Cell volume: 3931.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1043
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No