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Information card for entry 1573709
Preview
| Coordinates | 1573709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 N4 O S |
|---|---|
| Calculated formula | C14 H14 N4 O S |
| a | 6.643 ± 0.006 Å |
| b | 7.435 ± 0.007 Å |
| c | 28.49 ± 0.03 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1407 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0342 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
|---|---|---|---|
| 297368 (current) | 2025-01-18 | cif/ Adding structures of 1573706, 1573707, 1573708, 1573709, 1573710, 1573711, 1573712 via cif-deposit CGI script. |
1573709.cif |
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Users of the data should acknowledge the original authors of the
structural data.