Information card for entry 4082687

Structure parameters

• Formula: C38 H27 B F12 O3
• Calculated formula: C38 H27 B F12 O3
• SMILES: [B]([OH2])(c1cc2c(cc1)c(F)c(F)c(F)c2F)(c1cc2c(cc1)c(F)c(F)c(F)c2F)c1ccc2c(c1)c(F)c(F)c(F)c2F.O1CCCC1.O1CCCC1
• Title of publication: Tris(5,6,7,8-tetrafluoronaphthalen-2-yl)borane, a Partially Fluorinated Boron Lewis Acid with Fluorination Distal to the Boron Atom
• Authors of publication: Mohr, Jens; Durmaz, Mustafa; Irran, Elisabeth; Oestreich, Martin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1108
• a: 12.5486 ± 0.0005 Å
• b: 13.7189 ± 0.0006 Å
• c: 20.0521 ± 0.0008 Å
• α: 97.612 ± 0.003°
• β: 96.728 ± 0.003°
• γ: 92.256 ± 0.003°
• Cell volume: 3392.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1146
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No