Information card for entry 2003445

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 dichloromethane clathrate
• Formula: C65 H66 Cl2 O8
• Calculated formula: C65 H66 Cl4 O8
• 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: 14.936 ± 0.004 Å
• b: 15.088 ± 0.004 Å
• c: 25.727 ± 0.006 Å
• α: 90°
• β: 92.44 ± 0.02°
• γ: 90°
• Cell volume: 5792 ± 3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 4
• 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: 0.077
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 2.81
• Goodness-of-fit parameter for significantly intense reflections: 2.85
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No