Information card for entry 7121545

Structure parameters

• Chemical name: 1^4^,7^4^:1^6^,3^6^:3^4^,5^6^:5^4^,7^6^-Tetrakis(4,5-dimethoxy[1,2]benzeno)-2,4,6,8-tetraethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane ethylbenzene solvate
• Formula: C96 H99 O8
• Calculated formula: C96 H99 O8
• Title of publication: Rigid tetraarylene-bridged cavitands from reduced-symmetry resorcin[4]arene derivatives.
• Authors of publication: Smith, Jordan N.; Lucas, Nigel T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 37
• Pages of publication: 4716 - 4719
• a: 14.2685 ± 0.0003 Å
• b: 14.5929 ± 0.0002 Å
• c: 19.2492 ± 0.0003 Å
• α: 101.482 ± 0.001°
• β: 91.26 ± 0.001°
• γ: 95.436 ± 0.001°
• Cell volume: 3906.74 ± 0.12 ų
• Cell temperature: 99.9 ± 0.9 K
• Ambient diffraction temperature: 99.9 ± 0.9 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: 0.097
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.257
• Weighted residual factors for all reflections included in the refinement: 0.2685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No