Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575693
Preview
| Coordinates | 1575693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H15 N O5 S |
|---|---|
| Calculated formula | C18 H15 N O5 S |
| a | 5.1398 ± 0.0001 Å |
| b | 9.2922 ± 0.0002 Å |
| c | 34.4165 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1643.73 ± 0.06 Å3 |
| Cell temperature | 299.06 K |
| Ambient diffraction temperature | 299.06 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302109 (current) | 2025-09-12 | cif/ Adding structures of 1575693 via cif-deposit CGI script. |
1575693.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.