Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573850
Preview
| Coordinates | 1573850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H15 N3 O5 S |
|---|---|
| Calculated formula | C15 H15 N3 O5 S |
| Title of publication | Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence via pyridine-derived dimers |
| Authors of publication | Lu, Jiachen; Ok, Kang Min |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 17.5972 ± 0.0005 Å |
| b | 7.0455 ± 0.0002 Å |
| c | 12.8268 ± 0.0003 Å |
| α | 90° |
| β | 90.881 ± 0.001° |
| γ | 90° |
| Cell volume | 1590.09 ± 0.07 Å3 |
| Cell temperature | 303 K |
| Ambient diffraction temperature | 303 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 all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297603 (current) | 2025-02-06 | cif/ Adding structures of 1573849, 1573850 via cif-deposit CGI script. |
1573850.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.