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Information card for entry 1573821
Preview
| Coordinates | 1573821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 O3 S2 |
|---|---|
| Calculated formula | C15 H14 O3 S2 |
| a | 6.196 ± 0.0003 Å |
| b | 10.6217 ± 0.0006 Å |
| c | 11.347 ± 0.0006 Å |
| α | 82.619 ± 0.004° |
| β | 74.785 ± 0.005° |
| γ | 73.76 ± 0.005° |
| Cell volume | 690.62 ± 0.07 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1588 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297556 (current) | 2025-02-01 | cif/ Adding structures of 1573821 via cif-deposit CGI script. |
1573821.cif |
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Users of the data should acknowledge the original authors of the
structural data.