Information card for entry 1544655

Structure parameters

• Common name: cyclo[6]aramide/Paraquat complex
• Chemical name: cyclo[6]aramide and paraquat hexafluoro phosphate
• Formula: C90 H121 F6 N7 O18 P
• Calculated formula: C90 H121 F6 N7 O18 P
• Title of publication: Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes.
• Authors of publication: Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 2091 - 2100
• a: 22.63 ± 0.008 Å
• b: 23.529 ± 0.009 Å
• c: 19.425 ± 0.007 Å
• α: 90°
• β: 112.979 ± 0.005°
• γ: 90°
• Cell volume: 9522 ± 6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1534
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No