Information card for entry 2230716

Structure parameters

• Chemical name: Diisopropylammonium 4-methoxybenzoate
• Formula: C14 H23 N O3
• Calculated formula: C14 H23 N O3
• SMILES: c1(ccc(cc1)OC)C(=O)[O-].[NH2+](C(C)C)C(C)C
• Title of publication: Diisopropylammonium 4-methoxybenzoate
• Authors of publication: Wei, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1865
• a: 7.3265 ± 0.0015 Å
• b: 8.8808 ± 0.0018 Å
• c: 12.107 ± 0.002 Å
• α: 87.83 ± 0.03°
• β: 77.83 ± 0.03°
• γ: 83.44 ± 0.03°
• Cell volume: 764.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes