Information card for entry 3500079

Structure parameters

• Common name: tetradecylammonium bromide
• Formula: C40 H84 Br N
• Calculated formula: C40 H84 Br N
• SMILES: [Br-].[N+](CCCCCCCCCC)(CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC
• Title of publication: Tetradecylammonium Bromide
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2019
• a: 13.5933 ± 0.0007 Å
• b: 13.7213 ± 0.0007 Å
• c: 44.838 ± 0.002 Å
• α: 90°
• β: 90.119 ± 0.002°
• γ: 90°
• Cell volume: 8363.1 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No