Information card for entry 2003447

Structure parameters

• Chemical name: Octamethoxy-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 cesium perchlorate dichloromethane clathrate
• Formula: C65 H66 Cl3 Cs O12
• Calculated formula: C65 H66 Cl6 Cs O12
• 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: 17.088 ± 0.005 Å
• b: 19.691 ± 0.006 Å
• c: 20.392 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6861 ± 4 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.152
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for all reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.079
• Goodness-of-fit parameter for all reflections: 1.62
• Goodness-of-fit parameter for significantly intense reflections: 1.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No