Information card for entry 2207549

Structure parameters

• Chemical name: Cyclohexylammonium dichloroacetate
• Formula: C8 H15 Cl2 N O2
• Calculated formula: C8 H15 Cl2 N O2
• SMILES: ClC(Cl)C(=O)[O-].[NH3+]C1CCCCC1
• Title of publication: Cyclohexylammonium dichloroacetate
• Authors of publication: Jian-Ping Wang; Xi-Xing Cheng; Jian-Ge Wang; Qing-Hua Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4006 - o4007
• a: 6.6435 ± 0.0008 Å
• b: 8.596 ± 0.001 Å
• c: 19.135 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1092.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes