Information card for entry 1505836

Structure parameters

• Formula: C67 H88 F12 N2 O7 P2
• Calculated formula: C67 H88 F12 N2 O7 P2
• Title of publication: [3]Pseudorotaxane-like complexes formed between bipyridinium dications and bis-p-xylyl[26]crown-6.
• Authors of publication: Cheng, Pin-Nan; Lin, Chi-Feng; Liu, Yi-Huang; Lai, Chien-Chen; Peng, Shie-Ming; Chiu, Sheng-Hsien
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 435 - 438
• a: 13.6759 ± 0.0003 Å
• b: 15.5595 ± 0.0003 Å
• c: 17.7584 ± 0.0004 Å
• α: 92 ± 0.001°
• β: 91.004 ± 0.0012°
• γ: 110.722 ± 0.0011°
• Cell volume: 3530.4 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.1853
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.3132
• Weighted residual factors for all reflections included in the refinement: 0.3903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No