Information card for entry 2003448

Structure parameters

• Chemical name: 41,42,43,44,45,46,47,48-Octamethoxynonacyclo(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
• Formula: C56 H48 O8
• Calculated formula: C57 H48 O9
• 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: 7.924 ± 0.002 Å
• b: 11.433 ± 0.003 Å
• c: 25.541 ± 0.006 Å
• α: 79.12 ± 0.02°
• β: 83.61 ± 0.02°
• γ: 87.6 ± 0.02°
• Cell volume: 2257.7 ± 1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.191
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for all reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.096
• Goodness-of-fit parameter for all reflections: 1.21
• Goodness-of-fit parameter for significantly intense reflections: 1.49
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No