Information card for entry 1502409

Structure parameters

• Formula: C120 H143.2 F24 N8 O30.6 P4
• Calculated formula: C120 H143.2 F24 N8 O30.6 P4
• Title of publication: Pseudocryptand-type [3]pseudorotaxane and "hook-ring" polypseudo[2]catenane based on a bis(m-phenylene)-32-crown-10 derivative and bisparaquat derivatives.
• Authors of publication: Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4616 - 4619
• a: 22.05 ± 0.003 Å
• b: 11.6489 ± 0.0007 Å
• c: 26.955 ± 0.003 Å
• α: 90°
• β: 108.028 ± 0.013°
• γ: 90°
• Cell volume: 6583.7 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2203
• Residual factor for significantly intense reflections: 0.1357
• Weighted residual factors for significantly intense reflections: 0.3536
• Weighted residual factors for all reflections included in the refinement: 0.4209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No