Information card for entry 2101994

Structure parameters

• Chemical name: Bis(2-aminoethyl)amine-3,5-dihydroxybenzoic acid (1/2)
• Formula: C18 H25 N3 O8
• Calculated formula: C18 H25 N3 O8
• 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: 8.2469 ± 0.0007 Å
• b: 10.527 ± 0.002 Å
• c: 23.052 ± 0.003 Å
• α: 90°
• β: 98.144 ± 0.009°
• γ: 90°
• Cell volume: 1981.1 ± 0.5 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1528
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes