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Information card for entry 1574559
Preview
| Coordinates | 1574559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 N3 O4 Se |
|---|---|
| Calculated formula | C14 H11 N3 O4 Se |
| a | 6.8417 ± 0.0007 Å |
| b | 12.3348 ± 0.0011 Å |
| c | 8.5209 ± 0.0007 Å |
| α | 90° |
| β | 102.207 ± 0.004° |
| γ | 90° |
| Cell volume | 702.83 ± 0.11 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0897 |
| Residual factor for significantly intense reflections | 0.0821 |
| Weighted residual factors for significantly intense reflections | 0.2303 |
| Weighted residual factors for all reflections included in the refinement | 0.2443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299476 (current) | 2025-05-02 | cif/ Adding structures of 1574556, 1574557, 1574558, 1574559, 1574560, 1574561 via cif-deposit CGI script. |
1574559.cif |
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Users of the data should acknowledge the original authors of the
structural data.