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Information card for entry 1573729
Preview
| Coordinates | 1573729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 Cl N3 O |
|---|---|
| Calculated formula | C16 H12 Cl N3 O |
| a | 7.9879 ± 0.0003 Å |
| b | 13.1032 ± 0.0004 Å |
| c | 14.7678 ± 0.0006 Å |
| α | 71.525 ± 0.003° |
| β | 76.046 ± 0.003° |
| γ | 81.964 ± 0.003° |
| Cell volume | 1419.4 ± 0.09 Å3 |
| Cell temperature | 294.99 ± 0.12 K |
| Ambient diffraction temperature | 294.99 ± 0.12 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 | 0.0638 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297402 (current) | 2025-01-22 | cif/ Adding structures of 1573726, 1573727, 1573728, 1573729, 1573730 via cif-deposit CGI script. |
1573729.cif |
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Users of the data should acknowledge the original authors of the
structural data.