Information card for entry 7121546

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
• Formula: C164 H212 O30 S14
• Calculated formula: C164 H212 O30 S14
• 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: 16.7858 ± 0.0004 Å
• b: 20.0431 ± 0.0004 Å
• c: 25.8482 ± 0.0005 Å
• α: 87.859 ± 0.002°
• β: 88.846 ± 0.002°
• γ: 68.982 ± 0.002°
• Cell volume: 8111.9 ± 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: 0.1103
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.2748
• Weighted residual factors for all reflections included in the refinement: 0.2868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No