Information card for entry 2201432

Structure parameters

• Chemical name: α-Ammonium-α-methylpropionoate
• Formula: C4 H9 N O2
• Calculated formula: C4 H9 N O2
• SMILES: [O-]C(=O)C([NH3+])(C)C
• Title of publication: Redetermination of α-ammonio-α-methylpropionoate
• Authors of publication: Daniel E. Lynch; Ian McClenaghan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o706 - o707
• a: 10.6273 ± 0.0008 Å
• b: 9.0102 ± 0.0008 Å
• c: 11.337 ± 0.0007 Å
• α: 90°
• β: 93.749 ± 0.006°
• γ: 90°
• Cell volume: 1083.24 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes