Information card for entry 7118205

Structure parameters

• Formula: C80 H88 Cl6 F12 N2 O16 P2
• Calculated formula: C80 H88 Cl6 F12 N2 O16 P2
• Title of publication: Acid/base controllable complexation of a triptycene-derived macrotricyclic host and protonated 4,4'-bipyridinium/pyridinium salts.
• Authors of publication: Han, Ying; Meng, Zheng; Chen, Chuan-Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 590 - 593
• a: 20.956 ± 0.007 Å
• b: 17.451 ± 0.005 Å
• c: 24.943 ± 0.008 Å
• α: 90°
• β: 109.498 ± 0.004°
• γ: 90°
• Cell volume: 8599 ± 5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1618
• Residual factor for significantly intense reflections: 0.145
• Weighted residual factors for significantly intense reflections: 0.3594
• Weighted residual factors for all reflections included in the refinement: 0.3734
• Goodness-of-fit parameter for all reflections included in the refinement: 2.347
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No