Information card for entry 2013474

Structure parameters

• Common name: tris(4-hydroxyphenyl)methane
• Chemical name: 4,4',4''-methanetriyltriphenol
• Formula: C19 H16 O3
• Calculated formula: C19 H16 O3
• SMILES: Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
• Title of publication: Hydrogen-bond networks in tris(4-hydroxyphenyl)methane and its 1:1 molecular complex with 4,4'-bipyridine
• Authors of publication: Srinivasulu Aitipamula; Ashwini Nangia; Ram Thaimattam; Mariusz Jaskólski
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o481 - o484
• a: 12.326 ± 0.003 Å
• b: 18.573 ± 0.004 Å
• c: 7.4961 ± 0.0015 Å
• α: 90°
• β: 114.36 ± 0.03°
• γ: 90°
• Cell volume: 1563.3 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes