Information card for entry 7220172

Structure parameters

• Formula: C53 H64 F12 N4 O14 P2
• Calculated formula: C53 H64 F12 N4 O14 P2
• Title of publication: [n]Pseudorotaxanes constructed by a bis(p-phenylene)-34-crown-10-based cryptand: different binding behaviors induced by minor structural changes of guests
• Authors of publication: Wang, Haoze; Wei, Peifa; Yan, Xuzhou
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 54.999 ± 0.002 Å
• b: 11.2922 ± 0.0004 Å
• c: 19.9536 ± 0.0009 Å
• α: 90°
• β: 98.733 ± 0.004°
• γ: 90°
• Cell volume: 12248.7 ± 0.8 ų
• Cell temperature: 170.1 K
• Ambient diffraction temperature: 170.1 K
• Number of distinct elements: 6
• 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: 0.1116
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2631
• Weighted residual factors for all reflections included in the refinement: 0.2919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No