Information card for entry 2101294

Structure parameters

• Common name: 4-Biphenyldiphenylmethanol
• Chemical name: 4-Biphenyldiphenylmethanol
• Formula: C25 H20 O
• Calculated formula: C25 H20 O
• SMILES: OC(c1ccccc1)(c1ccccc1)c1ccc(cc1)c1ccccc1
• 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: 8.358 ± 0.0011 Å
• b: 13.8976 ± 0.0017 Å
• c: 15.5915 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1811 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No