Information card for entry 7150105

Structure parameters

• Formula: C108 H192 N4 O88
• Calculated formula: C108 H160 N4 O88
• Title of publication: Assembly behavior of inclusion complexes of beta-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene.
• Authors of publication: Liu, Yu; Zhao, Yan-Li; Chen, Yong; Guo, Dong-Sheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 584 - 591
• a: 15.44 ± 0.002 Å
• b: 15.483 ± 0.002 Å
• c: 17.971 ± 0.003 Å
• α: 112.852 ± 0.003°
• β: 99.09 ± 0.003°
• γ: 103.334 ± 0.003°
• Cell volume: 3702.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No