Information card for entry 4111597

Structure parameters

• Formula: C23 H12 Al B Cl4 F10 N2
• Calculated formula: C23 H12 Al B Cl4 F10 N2
• SMILES: Fc1c(c(c(c(N2B([N+](=C(C)C=C2C)c2c(c(c(F)c(F)c2F)F)F)c2ccccc2)c1F)F)F)F.[Al](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Synthesis and Characterization of a Coordinated Oxoborane: Lewis Acid Stabilization of a Boron-Oxygen Double Bond
• Authors of publication: Dragoslav Vidovic; Jennifer A. Moore; Jamie N. Jones; Alan H. Cowley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 4566 - 4567
• a: 25.588 ± 0.005 Å
• b: 15.086 ± 0.003 Å
• c: 7.1553 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2762.1 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1843
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No