Information card for entry 2230997

Structure parameters

• Chemical name: Cyclohexylammonium 4-methoxybenzoate
• Formula: C14 H21 N O3
• Calculated formula: C14 H21 N O3
• SMILES: COc1ccc(cc1)C(=O)[O-].C1(CCCCC1)[NH3+]
• Title of publication: Cyclohexylammonium 4-methoxybenzoate
• Authors of publication: Wei, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2185
• a: 8.9076 ± 0.0018 Å
• b: 6.6025 ± 0.0013 Å
• c: 11.778 ± 0.002 Å
• α: 90°
• β: 102.85 ± 0.03°
• γ: 90°
• Cell volume: 675.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes