Information card for entry 4112729

Structure parameters

• Formula: C36 H26 B F5
• Calculated formula: C36 H26 B F5
• SMILES: FC(c1cccc2cccc([C+](c3ccccc3)c3ccccc3)c12)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Reaction of the 1,8-Bis(diphenylmethylium)naphthalenediyl Dication with Fluoride: Formation of a Cation Containing a C-F→C Bridge
• Authors of publication: Huadong Wang; Charles Edwin Webster; Lisa M. Pérez; Michael B. Hall; François P. Gabbaï
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 8189 - 8196
• a: 10.19 ± 0.002 Å
• b: 10.273 ± 0.002 Å
• c: 14.506 ± 0.003 Å
• α: 110.71 ± 0.03°
• β: 104.54 ± 0.03°
• γ: 95.19 ± 0.03°
• Cell volume: 1347.7 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No