Information card for entry 7220171

Structure parameters

• Formula: C46 H59 F6 N3 O15 P
• Calculated formula: C46 H59 F6 N3 O15 P
• 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: 10.9381 ± 0.0005 Å
• b: 11.7474 ± 0.0007 Å
• c: 19.8477 ± 0.0009 Å
• α: 101.306 ± 0.004°
• β: 99.715 ± 0.004°
• γ: 94.513 ± 0.004°
• Cell volume: 2448.4 ± 0.2 ų
• Cell temperature: 170.1 K
• Ambient diffraction temperature: 170.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No