Information card for entry 7201967

Structure parameters

• Common name: C4S20
• Formula: C68 H84 N4 O32 S4
• Calculated formula: C68 H60 N4 O32.013 S4
• Title of publication: Breaking down the para-sulfonato-calix[4]arene bilayer motif into tapes and fences: the solid-state structure of the complex with 6-methoxyquinoline
• Authors of publication: Shkurenko, Oleksandr; Suwinska, Kinga; Coleman, Anthony W.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 821
• a: 20.6133 ± 0.0003 Å
• b: 18.2159 ± 0.0003 Å
• c: 38.3918 ± 0.0005 Å
• α: 90°
• β: 97.174 ± 0.001°
• γ: 90°
• Cell volume: 14302.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No