Information card for entry 2218954

Structure parameters

• Chemical name: Dicyclohexylammonium bromide
• Formula: C12 H24 Br N
• Calculated formula: C12 H24 Br N
• SMILES: [Br-].[NH2+](C1CCCCC1)C1CCCCC1
• Title of publication: Dicyclohexylammonium bromide
• Authors of publication: Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1624
• a: 24.1258 ± 0.0004 Å
• b: 39.3926 ± 0.0007 Å
• c: 5.4878 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5215.48 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes