Information card for entry 2101992

Structure parameters

• Chemical name: Bis(2-aminoethyl)amine-4,4'-sulfonyldiphenol (1/3)
• Formula: C40 H43 N3 O12 S3
• Calculated formula: C40 H43 N3 O12 S3
• 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: 13.7305 ± 0.0005 Å
• b: 14.9948 ± 0.0006 Å
• c: 19.4209 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3998.5 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes