Information card for entry 7218421

Structure parameters

• Common name: Q[8]HV2+
• Formula: C70 H150 Cl2 N34 O50
• Calculated formula: C70 H82 N34 O16
• Title of publication: Self-assembly of cucurbit[8]uril-based polypseudorotaxanes using host‒guest interactions
• Authors of publication: Liu, Jing Xin; Tao, Zhu; Lin, Rui-Lian; Sun, Wen-Qi; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Zheng, Li-Mei
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 44.361 ± 0.003 Å
• b: 19.8427 ± 0.001 Å
• c: 31.175 ± 0.002 Å
• α: 90°
• β: 128.983 ± 0.006°
• γ: 90°
• Cell volume: 21331 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1668
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No