Information card for entry 7239351

Structure parameters

• Formula: C83 H112 F12 N4 O20 P2
• Calculated formula: C83 H112 F12 N4 O20 P2
• Title of publication: Inclusion [2]complexes based on a pillar[5]arene with mono(ethylene oxide) substituents and vinylogous viologens
• Authors of publication: Chi, Xiaodong; Xue, Min
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 365
• a: 12.8518 ± 0.0004 Å
• b: 16.4858 ± 0.0006 Å
• c: 22.2701 ± 0.0007 Å
• α: 78.66 ± 0.003°
• β: 73.634 ± 0.003°
• γ: 82.764 ± 0.003°
• Cell volume: 4426.3 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0834
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No