Information card for entry 7106236

Structure parameters

• Formula: C43 H52 F16 N5 O4
• Calculated formula: C43 H50 F16 N5 O4
• SMILES: C(CNC(=O)c1c(c(c(c(c1F)F)F)F)F)N(CCNC(=O)c1c(c(c(c(c1F)F)F)F)F)CCNC(=O)c1c(c(c(c(c1F)F)F)F)F.C(CCC)[N+](CCCC)(CCCC)CCCC.O.[F-]
• Title of publication: Dual-host approach for liquid-liquid extraction of potassium fluoride/chloride via formation of an integrated 1-D polymeric complex
• Authors of publication: I. Ravikumar; Subrata Saha; Pradyut Ghosh
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4721
• a: 16.3394 ± 0.0011 Å
• b: 13.3936 ± 0.0009 Å
• c: 23.0429 ± 0.0015 Å
• α: 90°
• β: 104.689 ± 0.002°
• γ: 90°
• Cell volume: 4878 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No