Information card for entry 7153700

Structure parameters

• Formula: C74 H83 F12 N2 O16 P2
• Calculated formula: C74 H83 F12 N2 O16 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1c2cc3c4cc2OCCOCCOCCOc2c(OCCOCCOCC1)cc1c(c2)c(c2cc5OCCOCCOCCOc6cc7C4(C)c4ccccc4C3(C)c7cc6OCCOCCOCCOc5cc2c1C)C.[n+]12ccccc1c1[n+](cccc1)CC2
• Title of publication: Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.
• Authors of publication: Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 2850 - 2853
• a: 33.928 ± 0.007 Å
• b: 26.606 ± 0.005 Å
• c: 41.298 ± 0.008 Å
• α: 90°
• β: 112.64 ± 0.03°
• γ: 90°
• Cell volume: 34407 ± 14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1696
• Residual factor for significantly intense reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.2932
• Weighted residual factors for all reflections included in the refinement: 0.3159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.352
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No