Information card for entry 7112682

Structure parameters

• Formula: C17 H33 B2 Cl4 O2 P
• Calculated formula: C17 H33 B2 Cl4 O2 P
• SMILES: [P+](C1=[O][B](Cl)(Cl)C(=C(C)C)[B](Cl)(Cl)O1)(C(C)(C)C)(C(C)(C)C)C(C)(C)C
• 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: 11.9094 ± 0.0006 Å
• b: 17.2458 ± 0.0008 Å
• c: 22.759 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4674.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No