Information card for entry 7217623

Structure parameters

• Formula: C63 H80 F12 N4 O10 P2
• Calculated formula: C63 H80 F12 N4 O10 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC[n+]1ccn(C)c1)c1c2cc(OCC[n+]3ccn(c3)C)c(c1)Cc1c(OCC)cc(c(OCC)c1)Cc1cc(OCC)c(cc1OCC)Cc1cc(OCC)c(cc1OCC)Cc1cc(OCC)c(cc1OCC)C2
• Title of publication: Host‒guest complexation between 1,4-dipropoxypillar[5]arene and imidazolium-based ionic liquids
• Authors of publication: Gao, Lingyan; Yao, Yong; Dong, Shengyi; Yuan, Jiayin
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 12.7806 ± 0.0006 Å
• b: 14.6895 ± 0.0006 Å
• c: 20.5104 ± 0.001 Å
• α: 110.228 ± 0.004°
• β: 102.002 ± 0.004°
• γ: 97.058 ± 0.004°
• Cell volume: 3453.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1166
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2742
• Weighted residual factors for all reflections included in the refinement: 0.3021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No