Information card for entry 1529406

Structure parameters

• Chemical name: N-cetyl-N,N-di(2-hydroxyethyl)methylammonium bromide
• Formula: C21 H46 Br N O2
• Calculated formula: C21 H46 Br N O2
• SMILES: [Br-].[N+](CCO)(CCCCCCCCCCCCCCCC)(CCO)C
• Title of publication: The role of hydroxyethyl groups in the construction of wormlike micelles in the system of quaternary ammonium surfactant and sodium salicylate.
• Authors of publication: Dai, Caili; Wu, Xuepeng; Li, Weitao; You, Qin; Zhao, Mingwei; Du, Mingyong; Liu, Yifei; Li, Yuyang
• Journal of publication: Soft matter
• Year of publication: 2015
• Journal volume: 11
• Journal issue: 39
• Pages of publication: 7817 - 7826
• a: 22.8075 ± 0.0016 Å
• b: 7.3222 ± 0.0006 Å
• c: 14.4685 ± 0.0007 Å
• α: 90°
• β: 94.765 ± 0.006°
• γ: 90°
• Cell volume: 2407.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1114
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.2553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No