Information card for entry 2234617

Structure parameters

• Chemical name: Bis(cyclohexylammonium) terephthalate
• Formula: C20 H32 N2 O4
• Calculated formula: C20 H32 N2 O4
• SMILES: O=C([O-])c1ccc(cc1)C(=O)[O-].[NH3+]C1CCCCC1.[NH3+]C1CCCCC1
• Title of publication: Bis(cyclohexylammonium) terephthalate
• Authors of publication: Han, Meng Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1579
• a: 11.572 ± 0.002 Å
• b: 22.82 ± 0.005 Å
• c: 8.5426 ± 0.0017 Å
• α: 90°
• β: 117.03 ± 0.03°
• γ: 90°
• Cell volume: 2009.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1798
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes