Information card for entry 7153196

Structure parameters

• Formula: C104 H116 F24 N4 O24 P4
• Calculated formula: C104 H116 F24 N4 O24 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 ± 0.003 Å
• b: 30.563 ± 0.006 Å
• c: 15.58 ± 0.003 Å
• α: 90°
• β: 112.39 ± 0.03°
• γ: 90°
• Cell volume: 5724 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1528
• Residual factor for significantly intense reflections: 0.1379
• Weighted residual factors for significantly intense reflections: 0.4134
• Weighted residual factors for all reflections included in the refinement: 0.4314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No