Information card for entry 2008027

Structure parameters

• Chemical name: (4-Methoxyphenyl)diphenylmethanol
• Formula: C20 H18 O2
• Calculated formula: C20 H18 O2
• SMILES: OC(c1ccc(cc1)OC)(c1ccccc1)c1ccccc1
• Title of publication: (4-Methoxyphenyl)diphenylmethanol, an Unusual Tetramer Containing a <i>D</i>[<i>R</i>] Pattern of Hydrogen Bonds, and Tris(2-methoxyphenyl)methanol
• Authors of publication: Patterson, Iain L. J.; Glidewell, Christopher; Ferguson, George
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1970 - 1974
• a: 10.1013 ± 0.0009 Å
• b: 11.82 ± 0.001 Å
• c: 14.1077 ± 0.0011 Å
• α: 77.388 ± 0.007°
• β: 85.339 ± 0.007°
• γ: 74.803 ± 0.006°
• Cell volume: 1585.8 ± 0.2 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No