Information card for entry 1502549

Structure parameters

• Formula: C112 H142 F24 N6 O24 P4
• Calculated formula: C112 H142 F24 N6 O24 P4
• Title of publication: Formation of 1:2 host-guest complexes based on triptycene-derived macrotricycle and paraquat derivatives: anion-π interactions between PF6(-) and bipyridinium rings in the solid state.
• Authors of publication: Guo, Jia-Bin; Han, Ying; Cao, Jing; Chen, Chuan-Feng
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5688 - 5691
• a: 13.254 ± 0.003 Å
• b: 14.157 ± 0.003 Å
• c: 17.402 ± 0.004 Å
• α: 75.74 ± 0.03°
• β: 89.09 ± 0.03°
• γ: 68.84 ± 0.03°
• Cell volume: 2941.6 ± 1.4 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: 0.0946
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No