Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1567736
Preview
| Coordinates | 1567736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H5 N O2 |
|---|---|
| Calculated formula | C2 H5 N O2 |
| SMILES | [O-]C(=O)C[NH3+] |
| Title of publication | Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy |
| Authors of publication | Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua |
| Journal of publication | Crystals |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 1342 |
| a | 5.1004 ± 0.0005 Å |
| b | 11.9664 ± 0.0009 Å |
| c | 5.457 ± 0.0005 Å |
| α | 90° |
| β | 111.714 ± 0.003° |
| γ | 90° |
| Cell volume | 309.43 ± 0.05 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.0416 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278484 (current) | 2022-10-07 | cif/ Adding structures of 1567736 via cif-deposit CGI script. |
1567736.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.