Information card for entry 7105078

Structure parameters

• Formula: C27 H53 Cl N2 O4
• Calculated formula: C27 H53 Cl N2 O4
• SMILES: Cl(=O)(=O)(=O)[O-].n1(c[n+](cc1)CCCCCCCCCCCC)CCCCCCCCCCCC
• Title of publication: A new class of double alkyl-substituted, liquid crystalline imidazolium ionic liquids—a unique combination of structural features, viscosity effects, and thermal properties
• Authors of publication: Xinjiao Wang; Frank W. Heinemann; Mei Yang; Berthold U. Melcher; Melinda Fekete; Anja-Verena Mudring; Peter Wasserscheid; Karsten Meyer
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7405 - 7407
• a: 7.6633 ± 0.0006 Å
• b: 10.145 ± 0.0005 Å
• c: 38.8 ± 0.003 Å
• α: 90°
• β: 90.678 ± 0.007°
• γ: 90°
• Cell volume: 3016.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No