Information card for entry 7219951

Structure parameters

• Chemical name: 5,11,17,23-tetra-tert-butyl[25,27-dihydroxy-26,28-bis(diethylamineH)ethoxy] calix[4]arene bis[2,4-dichlorophenoxyacetate] monohydrate
• Formula: C72 H96 Cl4 N2 O11
• Calculated formula: C72 H96 Cl4 N2 O11
• Title of publication: Calix[4]arene amine modified silica : From fundamentals to new recyclable materials for the removal of chlorophenoxy acids from water
• Authors of publication: Danil de Namor, Angela F.; ZVIETCOVICH-GUERRA, JORGE A; VILLANUEVA, JOSE A; Piro, Oscar E.; WEBB, OLIVER A; EL GAMOUZ, ABDELAZIZ; ABOU HAMDAN, WEAM; Castellano, Eduardo Ernesto
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 22.256 ± 0.001 Å
• b: 14.171 ± 0.001 Å
• c: 24.719 ± 0.001 Å
• α: 90°
• β: 111.97 ± 0.01°
• γ: 90°
• Cell volume: 7230 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No