Information card for entry 2202206

Structure parameters

• Chemical name: n-undecylammonium bromide monohydrate
• Formula: C11 H28 Br N O
• Calculated formula: C11 H28 Br N O
• SMILES: [Br-].[NH3+]CCCCCCCCCCC.O
• Title of publication: <i>n</i>-Undecylammonium bromide monohydrate
• Authors of publication: Kruger, Gert J.; Rademeyer, Melanie; Billing, David G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o480 - o482
• a: 4.809 ± 0.006 Å
• b: 40.353 ± 0.005 Å
• c: 7.882 ± 0.009 Å
• α: 90°
• β: 105.65 ± 0.02°
• γ: 90°
• Cell volume: 1473 ± 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: 0.1103
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes