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Information card for entry 1565778
Preview
| Coordinates | 1565778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H34 N9 O2 P3 S2 |
|---|---|
| Calculated formula | C26 H34 N9 O2 P3 S2 |
| SMILES | s1c2ccc(OP3(Oc4ccc5sc(nc5c4)C)=N[P@@]45=N[P@@]6(=N3)NCCCN6CCCCN5CCCN4)cc2nc1C |
| Title of publication | Thiazole substituted dispiromonoansa and monospiro cyclotriphosphazenes: Design, synthesis and biological activity |
| Authors of publication | Yenilmez Çiftçi, Gönül; Tanrıverdi Eçik, Esra; Goler, Omer; Yuksel, Fatma; Duygulu, Ercan; Donbaloglu, Fadime; Turhal, Gulseren; Demiroglu-Zergeroglu, Asuman |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2019 |
| Journal volume | 498 |
| Pages of publication | 119158 |
| a | 10.0646 ± 0.001 Å |
| b | 10.5825 ± 0.001 Å |
| c | 15.2015 ± 0.0013 Å |
| α | 79.634 ± 0.006° |
| β | 85.067 ± 0.007° |
| γ | 71.749 ± 0.007° |
| Cell volume | 1511.8 ± 0.3 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299.47 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271444 (current) | 2021-12-15 | cif/ Adding structures of 1565778 via cif-deposit CGI script. |
1565778.cif |
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Users of the data should acknowledge the original authors of the
structural data.