Information card for entry 2222027

Structure parameters

• Chemical name: Cyclohexanaminium trichloroacetate
• Formula: C8 H14 Cl3 N O2
• Calculated formula: C8 H14 Cl3 N O2
• SMILES: [NH3+]C1CCCCC1.ClC(Cl)(Cl)C(=O)[O-]
• Title of publication: Cyclohexanaminium trichloroacetate
• Authors of publication: Shahwar, Durre; Tahir, M. Nawaz; Ahmad, Naeem; Khan, Muhammad Akmal; Saeed, Afifa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1313
• a: 6.7217 ± 0.0004 Å
• b: 21.2482 ± 0.0015 Å
• c: 10.6908 ± 0.0006 Å
• α: 90°
• β: 126.59 ± 0.003°
• γ: 90°
• Cell volume: 1225.98 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1109
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes