Information card for entry 4503398

Structure parameters

• Formula: C64 H104 Cl0.5 N24 O49.75 S4
• Calculated formula: C64 H52 Cl0.5 N24 O49.76 S4
• Title of publication: Directing Role of Hydrophobic−Hydrophobic and Hydrophilic−Hydrophilic Interactions in the Self-Assembly of Calixarenes/Cucurbiturils-Based Architectures
• Authors of publication: Lin, Rong-Guang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 791
• a: 22.8822 ± 0.0004 Å
• b: 32.7382 ± 0.0006 Å
• c: 16.746 ± 0.0003 Å
• α: 90°
• β: 133.1°
• γ: 90°
• Cell volume: 9159.7 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2254
• Weighted residual factors for all reflections included in the refinement: 0.2338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No