Information card for entry 7201879

Structure parameters

• Formula: C55 H63 N3 O25 S4
• Calculated formula: C55 H44 N3 O25 S4
• 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: 12.9696 ± 0.0016 Å
• b: 23.274 ± 0.003 Å
• c: 20.884 ± 0.003 Å
• α: 90°
• β: 103.405 ± 0.002°
• γ: 90°
• Cell volume: 6132.2 ± 1.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No