Information card for entry 7153701

Structure parameters

• Formula: C86 H102 F12 N4 O17 P2
• Calculated formula: C86 H102 F12 N4 O17 P2
• 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: 12.547 ± 0.002 Å
• b: 16.146 ± 0.003 Å
• c: 21.955 ± 0.004 Å
• α: 109.304 ± 0.004°
• β: 91.346 ± 0.003°
• γ: 91.789 ± 0.003°
• Cell volume: 4192.9 ± 1.3 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: 0.1187
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2583
• Weighted residual factors for all reflections included in the refinement: 0.2755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No