Information card for entry 1515348

Structure parameters

• Formula: C38 H60 F6 N4 O6 S2
• Calculated formula: C38 H60 F6 N4 O6 S2
• SMILES: S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.n1(c[n+](cc1)c1ccc([n+]2cn(cc2)CCCCCCCCCCCC)cc1)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: 8.4599 ± 0.0002 Å
• b: 8.5465 ± 0.0002 Å
• c: 16.5655 ± 0.0004 Å
• α: 81.9423 ± 0.0011°
• β: 76.9685 ± 0.0011°
• γ: 72.9996 ± 0.001°
• Cell volume: 1112.34 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0443
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No