Information card for entry 2101300

Structure parameters

• Common name: Diphenylmethanol
• Chemical name: Diphenylmethanol
• Formula: C13 H12 O
• Calculated formula: C13 H12 O
• SMILES: OC(c1ccccc1)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: 5.13 ± 0.001 Å
• b: 18.65 ± 0.005 Å
• c: 21.168 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2025.2 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.61
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No