Information card for entry 7121542

Structure parameters

• Chemical name: 2,4,6,8-Tetraethyl-1^4^,1^6^,5^4^,5^6^-tetra(3,4-dimethoxyphenyl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane
• Formula: C68 H73 O8.5
• Calculated formula: C68 H72 O8.5
• 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: 12.353 ± 0.0004 Å
• b: 14.6695 ± 0.0004 Å
• c: 16.1299 ± 0.0005 Å
• α: 93.266 ± 0.002°
• β: 105.038 ± 0.003°
• γ: 100.126 ± 0.003°
• Cell volume: 2762.64 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0707
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No