Information card for entry 2229443

Structure parameters

• Chemical name: <i>n</i>-Tridecylamine chloride monohydrate
• Formula: C13 H32 Cl N O
• Calculated formula: C13 H32 Cl N O
• SMILES: [Cl-].[NH3+]CCCCCCCCCCCCC.O
• Title of publication: <i>n</i>-Tridecylamine chloride monohydrate
• Authors of publication: Zhang, Lijun; Di, Youying; Dan, Wenyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o717
• a: 4.742 ± 0.0005 Å
• b: 45.25 ± 0.003 Å
• c: 7.8191 ± 0.0009 Å
• α: 90°
• β: 106.332 ± 0.002°
• γ: 90°
• Cell volume: 1610.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1386
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes