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Information card for entry 1574560
Preview
| Coordinates | 1574560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 N2 O4 Se |
|---|---|
| Calculated formula | C15 H12 N2 O4 Se |
| a | 7.4596 ± 0.0004 Å |
| b | 12.3445 ± 0.0006 Å |
| c | 8.6525 ± 0.0004 Å |
| α | 90° |
| β | 112.155 ± 0.006° |
| γ | 90° |
| Cell volume | 737.94 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0417 |
| 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 |
|---|---|---|---|
| 299476 (current) | 2025-05-02 | cif/ Adding structures of 1574556, 1574557, 1574558, 1574559, 1574560, 1574561 via cif-deposit CGI script. |
1574560.cif |
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Users of the data should acknowledge the original authors of the
structural data.