Information card for entry 7051250

Structure parameters

• Formula: C86 H105 B Na O13
• Calculated formula: C86 H102.346 B Na O13
• Title of publication: Calixarene-facilitated transfer of alkali metal ions across the polarised liquid‒liquid interface
• Authors of publication: Wickens, Joanna; Dryfe, Robert A. W.; Mair, Francis S.; Pritchard, Robin G.; Hayes, Roy; Arrigan, Damien W. M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 149
• a: 16.5 ± 0.001 Å
• b: 28.983 ± 0.003 Å
• c: 17.292 ± 0.002 Å
• α: 90°
• β: 109.52 ± 0.01°
• γ: 90°
• Cell volume: 7794.1 ± 1.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.202
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No