Information card for entry 8105341

Structure parameters

• Common name: (<i>S</i>)-(+)-1-cyclohexylethylammoniumchloride
• Chemical name: (<i>S</i>)-(+)-1-cyclohexylethan-1-aminiumchloride
• Formula: C8 H18 Cl N
• Calculated formula: C8 H18 Cl N
• SMILES: [Cl-].[NH3+][C@@H](C)C1CCCCC1
• Title of publication: Crystal structure of (S)-(+)-1-cyclohexylethylaminium chloride, C8H18NCl
• Authors of publication: Scherer, Ann-Kathrin; Frank, Walter
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 951 - 953
• a: 5.5244 ± 0.0003 Å
• b: 11.0915 ± 0.0006 Å
• c: 16.0339 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 982.46 ± 0.11 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No