Information card for entry 4336610

Structure parameters

• Chemical name: 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(N-hexylaminocarbonylmethoxy) calix[4]arene-sodium perchlorate-benzonitrile
• Formula: C83 H121 Cl Li N5 O12
• Calculated formula: C83 H121 Cl Li N5 O12
• Title of publication: The Effect of Specific Solvent-Solute Interactions on Complexation of Alkali-Metal Cations by a Lower-Rim Calix[4]arene Amide Derivative
• Authors of publication: Gordan Horvat; Vladimir Stilinović; Branko Kaitner; Leo Frkanec; Vladislav Tomišić
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12702 - 12712
• a: 31.569 ± 0.002 Å
• b: 15.806 ± 0.009 Å
• c: 35.945 ± 0.003 Å
• α: 90°
• β: 105.781 ± 0.007°
• γ: 90°
• Cell volume: 17260 ± 10 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.221
• Residual factor for significantly intense reflections: 0.1419
• Weighted residual factors for significantly intense reflections: 0.3791
• Weighted residual factors for all reflections included in the refinement: 0.4099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No