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Information card for entry 1573711
Preview
| Coordinates | 1573711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H11 N3 O S |
|---|---|
| Calculated formula | C12 H11 N3 O S |
| a | 5.823 ± 0.002 Å |
| b | 9.744 ± 0.004 Å |
| c | 11.011 ± 0.004 Å |
| α | 70.013 ± 0.009° |
| β | 83.399 ± 0.009° |
| γ | 88.167 ± 0.008° |
| Cell volume | 583.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297368 (current) | 2025-01-18 | cif/ Adding structures of 1573706, 1573707, 1573708, 1573709, 1573710, 1573711, 1573712 via cif-deposit CGI script. |
1573711.cif |
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Users of the data should acknowledge the original authors of the
structural data.