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Information card for entry 1573849
Preview
| Coordinates | 1573849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H11 N3 O3 S |
|---|---|
| Calculated formula | C10 H11 N3 O3 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 | 7.2257 ± 0.0004 Å |
| b | 13.4248 ± 0.0008 Å |
| c | 24.382 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2365.1 ± 0.2 Å3 |
| Cell temperature | 303 K |
| Ambient diffraction temperature | 303 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1243 |
| Residual factor for significantly intense reflections | 0.0779 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.209 |
| 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. |
1573849.cif |
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Users of the data should acknowledge the original authors of the
structural data.