Information card for entry 2003446

Structure parameters

• Chemical name: 41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo (35.3.1.1^2,6^.1^7,11^.1^12,16^.1^17,21^.1^22,26^.1^27,31^.1^32,36^) octatetraconta-1(41),2,4,6(42),7,9,11(43),12,14,16(44),17,19,21(45),22,24,26(46) ,27,29,31(47),32,34,36(48),37,39-tetracosaene ethanol clathrate
• Formula: C66 H70 O9
• Calculated formula: C70 H64 O11
• Title of publication: Octaanisyl Cavitands and a Related Caviplex
• Authors of publication: Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 894 - 904
• a: 14.117 ± 0.006 Å
• b: 27.796 ± 0.009 Å
• c: 14.845 ± 0.004 Å
• α: 90°
• β: 94.29 ± 0.03°
• γ: 90°
• Cell volume: 5809 ± 3 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 3
• 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: 0.087
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for all reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.085
• Goodness-of-fit parameter for all reflections: 3.48
• Goodness-of-fit parameter for significantly intense reflections: 3.53
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No