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Information card for entry 1573727
Preview
| Coordinates | 1573727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 N3 O |
|---|---|
| Calculated formula | C16 H13 N3 O |
| a | 11.4544 ± 0.0006 Å |
| b | 15.8163 ± 0.0008 Å |
| c | 7.4627 ± 0.0004 Å |
| α | 90° |
| β | 103.569 ± 0.006° |
| γ | 90° |
| Cell volume | 1314.25 ± 0.12 Å3 |
| Cell temperature | 294.98 ± 0.13 K |
| Ambient diffraction temperature | 294.98 ± 0.13 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
1573727.cif |
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Users of the data should acknowledge the original authors of the
structural data.