Information card for entry 7121544

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)-1^6^,5^4^-bis(3,4-dimethoxyphenyl)-2,4,6,8-tetraethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane
• Formula: C139 H139 Cl9 O16
• Calculated formula: C139 H139 Cl9 O16
• 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: 14.3309 ± 0.0004 Å
• b: 18.0783 ± 0.0005 Å
• c: 24.9943 ± 0.0005 Å
• α: 72.549 ± 0.002°
• β: 80.55 ± 0.002°
• γ: 75.159 ± 0.002°
• Cell volume: 5944.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.292
• Weighted residual factors for all reflections included in the refinement: 0.3244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No