Information card for entry 4503865

Structure parameters

• Formula: C40 H50 N2 O23 S4
• Calculated formula: C40 H34 N2 O23.01 S4
• Title of publication: Benzyl Effects of Supramolecular Architectures Constructed byp-Sulfonatocalix[4]arene and Viologen Guests: from Simple 2:1 Complex to Polymeric Capsules
• Authors of publication: Guo, Dong-Sheng; Su, Xin; Liu, Yu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3514
• a: 20.89 ± 0.009 Å
• b: 18.703 ± 0.008 Å
• c: 29.646 ± 0.013 Å
• α: 90°
• β: 99.368 ± 0.008°
• γ: 90°
• Cell volume: 11428 ± 9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.2543
• Residual factor for significantly intense reflections: 0.1454
• Weighted residual factors for significantly intense reflections: 0.3566
• Weighted residual factors for all reflections included in the refinement: 0.4313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No