Information card for entry 2012457

Structure parameters

• Chemical name: 1,2-Bis(4'-pyridyl)ethene‒1,1,1-tris(4-hydroxyphenyl)ethane‒methanol (1/1/1)
• Formula: C33 H32 N2 O4
• Calculated formula: C33 H32 N2 O4
• SMILES: Oc1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.OC.n1ccc(cc1)/C=C/c1ccncc1
• Title of publication: Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with 1,2-bis(4-pyridyl)ethane and 1,2-bis(4-pyridyl)ethene: continuously interwoven structures in three dimensions
• Authors of publication: Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o1 - o5
• a: 11.8264 ± 0.0009 Å
• b: 14.2158 ± 0.0009 Å
• c: 16.8109 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2826.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes