Information card for entry 2225658

Structure parameters

• Chemical name: <i>n</i>-Dodecylammonium bromide monohydrate
• Formula: C12 H30 Br N O
• Calculated formula: C12 H30 Br N O
• SMILES: [Br-].O.[NH3+]CCCCCCCCCCCC
• Title of publication: <i>n</i>-Dodecylammonium bromide monohydrate
• Authors of publication: Dan, Wenyan; Di, Youying; He, Donghua; Yang, Weiwei; Kong, Yuxia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o910
• a: 4.7921 ± 0.0005 Å
• b: 42.81 ± 0.004 Å
• c: 7.8573 ± 0.0008 Å
• α: 90°
• β: 105.798 ± 0.002°
• γ: 90°
• Cell volume: 1551 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes