Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573726
Preview
| Coordinates | 1573726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 N3 O3 |
|---|---|
| Calculated formula | C16 H13 N3 O3 |
| a | 8.029 ± 0.0003 Å |
| b | 12.7021 ± 0.0004 Å |
| c | 13.0187 ± 0.0004 Å |
| α | 90° |
| β | 93.446 ± 0.003° |
| γ | 90° |
| Cell volume | 1325.31 ± 0.08 Å3 |
| Cell temperature | 169.99 ± 0.1 K |
| Ambient diffraction temperature | 169.99 ± 0.1 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 | 0.0489 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297402 (current) | 2025-01-22 | cif/ Adding structures of 1573726, 1573727, 1573728, 1573729, 1573730 via cif-deposit CGI script. |
1573726.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.