Information card for entry 7206065

Structure parameters

• Formula: C15 H27 Br N2 O2
• Calculated formula: C15 H27 Br N2 O2
• SMILES: [Br-].OC(=O)C[n+]1cn(cc1)CCCCCCCCCC
• Title of publication: Carboxylic acid functionalized imidazolium salts: sequential formation of ionic, zwitterionic, acid-zwitterionic and lithium salt-zwitterionic liquid crystals
• Authors of publication: Lin, Joseph C. Y.; Huang, Chao-June; Lee, Yi-Ting; Lee, Kwang-Ming; Lin, Ivan J. B.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 8110
• a: 7.7796 ± 0.0005 Å
• b: 4.7083 ± 0.0003 Å
• c: 47.139 ± 0.003 Å
• α: 90°
• β: 91.573 ± 0.003°
• γ: 90°
• Cell volume: 1725.99 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No