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Information card for entry 1551560
Preview
| Coordinates | 1551560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H9 N3 O |
|---|---|
| Calculated formula | C11 H9 N3 O |
| SMILES | Oc1ccccc1/C=N/c1nccnc1 |
| Title of publication | Molecular Planarity and Crystal Structures of <i>N</i>-Salicylideneaminopyrazine Derivatives |
| Authors of publication | SUGIYAMA, Haruki |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2018 |
| Journal volume | 34 |
| Journal issue | 0 |
| Pages of publication | 57 |
| a | 4.541 ± 0.004 Å |
| b | 19.523 ± 0.018 Å |
| c | 10.844 ± 0.009 Å |
| α | 90° |
| β | 97.8 ± 0.03° |
| γ | 90° |
| Cell volume | 952.5 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.099 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1629 |
| Weighted residual factors for all reflections included in the refinement | 0.1888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216170 (current) | 2019-06-20 | cif/ Adding structures of 1551560 via cif-deposit CGI script. |
1551560.cif |
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Users of the data should acknowledge the original authors of the
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