Information card for entry 2101299

Structure parameters

• Common name: Bis(pentafluorophenyl)methanol
• Chemical name: Bis(pentafluorophenyl)methanol
• Formula: C13 H2 F10 O
• Calculated formula: C13 H2 F10 O
• SMILES: OC(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F
• Title of publication: Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol
• Authors of publication: Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 367 - 377
• a: 26.006 ± 0.004 Å
• b: 26.006 ± 0.004 Å
• c: 9.5941 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5619.3 ± 1.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections: 0.2084
• Weighted residual factors for significantly intense reflections: 0.1617
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No