Information card for entry 1556578

Structure parameters

• Common name: beta-glycine
• Formula: C2 H5 N O2
• Calculated formula: C2 H5 N O2
• SMILES: [NH3+]CC(=O)[O-]
• Title of publication: Polymorph evolution during crystal growth studied by 3D electron diffraction
• Authors of publication: Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon
• Journal of publication: IUCrJ
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 5 - 9
• a: 5.311 ± 0.0011 Å
• b: 6.454 ± 0.0013 Å
• c: 5.694 ± 0.0011 Å
• α: 90°
• β: 112.86 ± 0.03°
• γ: 90°
• Cell volume: 179.84 ± 0.07 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1379
• Residual factor for significantly intense reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.2894
• Weighted residual factors for all reflections included in the refinement: 0.2964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.02508 Å
• Diffraction radiation type: electrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No