Information card for entry 7051980

Structure parameters

• Formula: C33 H11 B Cl F15
• Calculated formula: C33 H11 B Cl F15
• SMILES: [B](Cl)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[CH+]1c2ccccc2C=Cc2ccccc12
• Title of publication: Synthesis and characterization of weakly coordinating anion salts of a new, stable carbocationic reagent, the dibenzosuberenyl (dibenzotropylium) ion
• Authors of publication: Cordoneanu, Adina; Drewitt, Mark J.; Bavarian, Neda; Baird, Michael C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 1890
• a: 10.306 ± 0.0019 Å
• b: 7.4208 ± 0.0015 Å
• c: 36.756 ± 0.007 Å
• α: 90°
• β: 93.601 ± 0.003°
• γ: 90°
• Cell volume: 2805.5 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No