Information card for entry 2226486

Structure parameters

• Chemical name: 2-Methylpropan-2-aminium 4-hydroxybenzoate
• Formula: C11 H17 N O3
• Calculated formula: C11 H17 N O3
• SMILES: C(=O)(c1ccc(cc1)O)[O-].CC(C)(C)[NH3+]
• Title of publication: 2-Methylpropan-2-aminium 4-hydroxybenzoate
• Authors of publication: Yu, Shu-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1706
• a: 6.83 ± 0.0014 Å
• b: 9.279 ± 0.0019 Å
• c: 19.831 ± 0.004 Å
• α: 90°
• β: 99.58 ± 0.03°
• γ: 90°
• Cell volume: 1239.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes