Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556577
Preview
| Coordinates | 1556577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | alpha-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 | 5.223 ± 0.001 Å |
| b | 12.435 ± 0.003 Å |
| c | 5.563 ± 0.0011 Å |
| α | 90° |
| β | 111.14 ± 0.03° |
| γ | 90° |
| Cell volume | 336.99 ± 0.14 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2468 |
| Residual factor for significantly intense reflections | 0.2188 |
| Weighted residual factors for significantly intense reflections | 0.4858 |
| Weighted residual factors for all reflections included in the refinement | 0.5176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.02508 Å |
| Diffraction radiation type | electrons |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556577.cif |
| 247895 | 2020-02-05 | cif/ Updating files of 1556577, 1556578, 1556579 Original log message: Adding full bibliography for 1556577--1556579.cif. |
1556577.cif |
| 245192 | 2019-12-14 | cif/ Adding structures of 1556577, 1556578, 1556579 via cif-deposit CGI script. |
1556577.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.