Information card for entry 7121543

Structure parameters

• Chemical name: rac-2,4,6,8-Tetraethyl-1^4^,3^6^,5^6^,7^6^-tetra(3,4-dimethoxyphenyl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane
• Formula: C70 H74 Cl6 O8
• Calculated formula: C70 H74 Cl6 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: 13.6525 ± 0.0004 Å
• b: 15.3663 ± 0.0004 Å
• c: 17.4716 ± 0.0005 Å
• α: 109.493 ± 0.003°
• β: 102.788 ± 0.003°
• γ: 99.544 ± 0.002°
• Cell volume: 3253.02 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0547
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No