Information card for entry 1505835

Structure parameters

• Formula: C31 H42 F6 N2 O8 P
• Calculated formula: C31 H42 F6 N2 O8 P
• 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: 13.282 ± 0.0003 Å
• b: 14.2815 ± 0.0003 Å
• c: 18.9888 ± 0.0005 Å
• α: 90°
• β: 102.049 ± 0.001°
• γ: 90°
• Cell volume: 3522.57 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1736
• Residual factor for significantly intense reflections: 0.1282
• Weighted residual factors for significantly intense reflections: 0.3755
• Weighted residual factors for all reflections included in the refinement: 0.4177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.575
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No