Information card for entry 7206056

Structure parameters

• Formula: C22 H48 Br N O2
• Calculated formula: C22 H48 Br N O2
• SMILES: [Br-].[N+](C[C@H](O)COCCCCCCCCCCCCCCCC)(C)(C)C
• Title of publication: Ionic liquid crystals of quaternary ammonium salts with a 2-hydroxypropoxy insertion group
• Authors of publication: Wei, Zengbin; Wei, Xilian; Wang, Xiuhong; Wang, Zhongni; Liu, Jie
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 6875
• a: 5.9075 ± 0.001 Å
• b: 7.3979 ± 0.0013 Å
• c: 28.899 ± 0.003 Å
• α: 90°
• β: 90.592 ± 0.001°
• γ: 90°
• Cell volume: 1262.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1723
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No