Information card for entry 4503866

Structure parameters

• Formula: C40 H54.5 N O26.25 S4
• Calculated formula: C40 H31 N O26.25 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: 14.074 ± 0.004 Å
• b: 14.475 ± 0.004 Å
• c: 15.773 ± 0.004 Å
• α: 72.909 ± 0.004°
• β: 65.995 ± 0.004°
• γ: 79.968 ± 0.004°
• Cell volume: 2800.2 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1666
• Residual factor for significantly intense reflections: 0.1293
• Weighted residual factors for significantly intense reflections: 0.3732
• Weighted residual factors for all reflections included in the refinement: 0.4055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.456
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No