Information card for entry 2202333

Structure parameters

• Chemical name: Tetradecyltrimethylammmonium bromide
• Formula: C17 H38 Br N
• Calculated formula: C17 H38 Br N
• SMILES: [N+](CCCCCCCCCCCCCC)(C)(C)C.[Br-]
• Title of publication: Pseudosymmetry in tetradecyltrimethylammonium bromide
• Authors of publication: Ramos Silva, Manuela; Matos Beja, Ana; Paixão, Jose Antonio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1151 - o1152
• a: 5.6323 ± 0.0013 Å
• b: 7.24 ± 0.002 Å
• c: 47.39 ± 0.0015 Å
• α: 90°
• β: 91.17 ± 0.011°
• γ: 90°
• Cell volume: 1932.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes