Information card for entry 4002027

Structure parameters

• Chemical name: 1-(4-(1,2-bis(methoxycarbonyl)phen-5-oxy)butyl) -3-methylimidazolium hexa-fluorophosphate
• Formula: C18 H23 F6 N2 O5 P
• Calculated formula: C18 H23 F6 N2 O5 P
• Title of publication: Crystal Growth, Structure, and Polymorphic Behavior of an Ionic Liquid: Phthalate Derivative ofN-Butyl,N-methylimidazolium Hexafluorophosphate
• Authors of publication: Brandel, Clément; Gbabode, Gabin; Cartigny, Yohann; Martin, Claudette; Gouhier, Géraldine; Petit, Samuel; Coquerel, Gérard
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 4151
• a: 8.9848 ± 0.0009 Å
• b: 10.0585 ± 0.001 Å
• c: 13.0237 ± 0.0013 Å
• α: 82.866 ± 0.002°
• β: 75.195 ± 0.002°
• γ: 78.641 ± 0.002°
• Cell volume: 1112.24 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0836
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No