Information card for entry 2009402

Structure parameters

• Common name: Benzyldiphenylcarbinol
• Chemical name: 1,2-triphenylethanol
• Formula: C20 H18 O
• Calculated formula: C20 H18 O
• SMILES: OC(c1ccccc1)(c1ccccc1)Cc1ccccc1
• Title of publication: O‒H^{···^}π(arene) intermolecular hydrogen bonding in the structure of 1,1,2-triphenylethanol
• Authors of publication: Ferguson, George; Gallagher, John F.; Glidewell, Christopher; Zakaria, Choudhury M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 70 - 73
• a: 16.2124 ± 0.0013 Å
• b: 5.9458 ± 0.0006 Å
• c: 17.2602 ± 0.0017 Å
• α: 90°
• β: 115.965 ± 0.007°
• γ: 90°
• Cell volume: 1495.9 ± 0.3 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: 0.103
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No