Information card for entry 7118204

Structure parameters

• Formula: C90 H96 F12 N2 O16 P2
• Calculated formula: C90 H96 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: 13.799 ± 0.003 Å
• b: 15.7 ± 0.003 Å
• c: 22.416 ± 0.005 Å
• α: 104.6 ± 0.03°
• β: 96.36 ± 0.03°
• γ: 107.93 ± 0.03°
• Cell volume: 4377 ± 2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.2537
• Residual factor for significantly intense reflections: 0.1931
• Weighted residual factors for significantly intense reflections: 0.372
• Weighted residual factors for all reflections included in the refinement: 0.4032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.673
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No