Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1549491
Preview
| Coordinates | 1549491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | glyphosate |
|---|---|
| Formula | C3 H8 N O5 P |
| Calculated formula | C3 H8 N O5 P |
| Title of publication | The Crystal and Molecular Structure of N-(Phosphonomethyl)glycine (Glyphosate) |
| Authors of publication | Knuuttila, Pekka; Knuuttila, Hilkka |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1979 |
| Pages of publication | 623 - 626 |
| a | 8.682 ± 0.005 Å |
| b | 7.973 ± 0.008 Å |
| c | 9.875 ± 0.005 Å |
| α | 90° |
| β | 105.74 ± 0.04° |
| γ | 90° |
| Cell volume | 657.9 ± 0.8 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1549491.cif |
| 208052 | 2018-05-30 | cif/ Adding structures of 1549491 via cif-deposit CGI script. |
1549491.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.