Information card for entry 7218422

Structure parameters

• Common name: Q[8]C3PA2+
• Formula: C138 H258 Br4 N68 O69
• Calculated formula: C138 H184 Br4 N68 O69
• 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: 25.547 ± 0.01 Å
• b: 24.005 ± 0.01 Å
• c: 15.446 ± 0.006 Å
• α: 90°
• β: 92.07 ± 0.006°
• γ: 90°
• Cell volume: 9466 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2301
• Residual factor for significantly intense reflections: 0.127
• Weighted residual factors for significantly intense reflections: 0.3125
• Weighted residual factors for all reflections included in the refinement: 0.3676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No