Information card for entry 2227443

Structure parameters

• Chemical name: Diethylammonium 4-hydroxybenzoate
• Formula: C11 H17 N O3
• Calculated formula: C11 H17 N O3
• SMILES: [NH2+](CC)CC.[O-]C(=O)c1ccc(O)cc1
• Title of publication: Diethylammonium 4-hydroxybenzoate
• Authors of publication: Lu, Yong-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2920
• a: 12.127 ± 0.0013 Å
• b: 10.6829 ± 0.0011 Å
• c: 17.6066 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2281 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes