Information card for entry 2214404

Structure parameters

• Chemical name: Bis(dicyclohexylammonium 4-hydroxybenzoate)
• Formula: C19 H29 N O3
• Calculated formula: C19 H29 N O3
• SMILES: O=C([O-])c1ccc(O)cc1.[NH2+](C1CCCCC1)C1CCCCC1
• Title of publication: Bis(dicyclohexylammonium 4-hydroxybenzoate)
• Authors of publication: Zain, Sharifuddin Md.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3303 - o3303
• a: 9.4779 ± 0.0002 Å
• b: 11.065 ± 0.0003 Å
• c: 17.5816 ± 0.0004 Å
• α: 90°
• β: 95.431 ± 0.001°
• γ: 90°
• Cell volume: 1835.56 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No