Information card for entry 2101993

Structure parameters

• Chemical name: Bis(2-aminoethyl)amine‒1,1,1-tris(4-hydroxyphenyl)ethane‒ methanol (1/4/1)
• Formula: C85 H89 N3 O13
• Calculated formula: C85 H85 N3 O13
• Title of publication: Supramolecular chemistry of amine‒phenol adducts; novel three-dimensional framework structures in adducts of bis(2-aminoethyl)amine with 4,4'-sulfonyldiphenol, 1,1,1-tris(4-hydroxyphenyl)ethane and 3,5-dihydroxybenzoic acid, and in the methanol-solvated adduct of tris(2-aminoethyl)amine with 4,4'-biphenol
• Authors of publication: Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Campana, Charles F.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 68 - 84
• a: 10.7171 ± 0.0009 Å
• b: 11.2112 ± 0.0011 Å
• c: 15.5547 ± 0.0019 Å
• α: 101.069 ± 0.009°
• β: 92.924 ± 0.009°
• γ: 97.291 ± 0.009°
• Cell volume: 1813.9 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes