Information card for entry 2201044

Structure parameters

• Common name: glycine
• Chemical name: aminoacetic acid
• Formula: C2 H5 N O2
• Calculated formula: C2 H5 N O2
• SMILES: O=C([O-])C[NH3+]
• Title of publication: β-Glycine
• Authors of publication: Tat'yana N. Drebushchak; Elena V. Boldyreva; Elena S. Shutova
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o634 - o636
• a: 5.0935 ± 0.0011 Å
• b: 6.274 ± 0.002 Å
• c: 5.3847 ± 0.0012 Å
• α: 90°
• β: 113.19 ± 0.02°
• γ: 90°
• Cell volume: 158.17 ± 0.07 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes