Information card for entry 7201878

Structure parameters

• Formula: C96 H120 N6 O51 S6
• Calculated formula: C96 H114 N6 O51 S6
• Title of publication: Supramolecular chain-like aggregates and polymeric sandwich complexes constructed from p-sulfonatocalix[4,6]arenes with (8-hydroxy)quinoline guests
• Authors of publication: Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 675
• a: 12.131 ± 0.002 Å
• b: 12.741 ± 0.002 Å
• c: 17.734 ± 0.003 Å
• α: 102.191 ± 0.003°
• β: 103.227 ± 0.004°
• γ: 90.24 ± 0.002°
• Cell volume: 2604.1 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No