Information card for entry 2101296

Structure parameters

• Common name: 1,1,3-triphenylpropyn-1-ol
• Chemical name: 1,1,3-triphenylpropyn-1-ol
• Formula: C21 H16 O
• Calculated formula: C21 H16 O
• SMILES: OC(C#Cc1ccccc1)(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: 5.9794 ± 0.0012 Å
• b: 9.953 ± 0.003 Å
• c: 26.42 ± 0.003 Å
• α: 90°
• β: 91.365 ± 0.012°
• γ: 90°
• Cell volume: 1571.9 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1767
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.0689
• Goodness-of-fit parameter for all reflections: 0.803
• Goodness-of-fit parameter for significantly intense reflections: 1.172
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No