Information card for entry 2013473

Structure parameters

• Common name: 1,1,1-tris(4-hydroxyphenyl)methane‒bipyridine (1/1)
• Chemical name: 4,4',4''-methanetriyltriphenol‒bipyridine (1/1)
• Formula: C29 H24 N2 O3
• Calculated formula: C29 H24 N2 O3
• SMILES: Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.n1ccc(cc1)c1ccncc1
• 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: 26.483 ± 0.005 Å
• b: 34.102 ± 0.007 Å
• c: 10.483 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9467 ± 3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes