Information card for entry 7153197

Structure parameters

• Formula: C128 H140 F24 N4 O20 P4
• Calculated formula: C128 H140 F24 N4 O20 P4
• Title of publication: Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.
• Authors of publication: Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 47
• Pages of publication: 8183 - 8190
• a: 13.353 ± 0.003 Å
• b: 14.777 ± 0.003 Å
• c: 19.768 ± 0.004 Å
• α: 106.3 ± 0.03°
• β: 101.9 ± 0.03°
• γ: 90.79 ± 0.03°
• Cell volume: 3652.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2028
• Residual factor for significantly intense reflections: 0.1466
• Weighted residual factors for significantly intense reflections: 0.3529
• Weighted residual factors for all reflections included in the refinement: 0.3759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.592
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No