Information card for entry 7132179

Structure parameters

• Common name: glycine, beta polymorph
• Chemical name: aminoacetic acid, beta polymorph
• Formula: C2 H5 N O2
• Calculated formula: C2 H5 N O2
• SMILES: [O-]C(=O)C[NH3+]
• Title of publication: Single crystal formation in core-shell capsules.
• Authors of publication: Mettler, Marie; Dewandre, Adrien; Tumanov, Nikolay; Wouters, Johan; Septavaux, Jean
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 5.0947 ± 0.0006 Å
• b: 6.2681 ± 0.0005 Å
• c: 5.3883 ± 0.0006 Å
• α: 90°
• β: 113.232 ± 0.014°
• γ: 90°
• Cell volume: 158.12 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295.15 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: 0.0514
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No