Information card for entry 1515349

Structure parameters

• Formula: C40 H58 F12 N6 O8 S4
• Calculated formula: C40 H58.5 F12 N6 O8 S4
• SMILES: O=S(C(F)(F)F)(N=S(C(F)(F)F)(=O)[O-])=O.O=S(C(F)(F)F)(N=S(C(F)(F)F)(=O)[O-])=O.CCCCCCCCCCCCn1cc[n+](c1)c1ccc(cc1)[n+]1ccn(c1)CCCCCCCCCCCC
• Title of publication: Mesomorphic and ion conducting properties of dialkyl(1,4-phenylene)diimidazolium salts
• Authors of publication: Noujeim, Nadim; Samsam, Salim; Eberlin, Ludovic; Sanon, Samantha H.; Rochefort, Dominic; Schmitzer, Andreea R.
• Journal of publication: Soft Matter
• Year of publication: 2012
• Journal volume: 8
• Journal issue: 42
• Pages of publication: 10914
• a: 5.8926 ± 0.0001 Å
• b: 17.4576 ± 0.0005 Å
• c: 25.4302 ± 0.0007 Å
• α: 79 ± 0.001°
• β: 89.243 ± 0.001°
• γ: 81.121 ± 0.001°
• Cell volume: 2536.83 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1116
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.4059
• Weighted residual factors for all reflections included in the refinement: 0.4209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.952
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No