Information card for entry 7051981

Structure parameters

• Formula: C51 H14 B2 F30 O2
• Calculated formula: C51 H14 B2 F30 O2
• SMILES: [B](O)(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.[B]([OH2])(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: 12.512 ± 0.005 Å
• b: 13.248 ± 0.006 Å
• c: 14.052 ± 0.006 Å
• α: 81.676 ± 0.007°
• β: 82.635 ± 0.008°
• γ: 76.977 ± 0.008°
• Cell volume: 2234.4 ± 1.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2552
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No