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Information card for entry 7710983
Preview
| Coordinates | 7710983.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H4 N6 O9 |
|---|---|
| Calculated formula | C6 H4 N6 O9 |
| SMILES | O=N(=O)C1(CN(C1)C(=O)c1n(onc1N(=O)=O)=O)N(=O)=O |
| Title of publication | Renaissance of Dinitroazetidine: Novel Hybrid Energetic Boosters and Oxidizers |
| Authors of publication | Zhilin, Egor; Ananyev, Ivan V.; Pivkina, Alla N.; Fershtat, Leonid |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 35.7181 ± 0.0013 Å |
| b | 5.468 ± 0.0002 Å |
| c | 11.2106 ± 0.0004 Å |
| α | 90° |
| β | 92.986 ± 0.002° |
| γ | 90° |
| Cell volume | 2186.53 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277264 (current) | 2022-08-17 | cif/ Adding structures of 7710983, 7710984 via cif-deposit CGI script. |
7710983.cif |
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Users of the data should acknowledge the original authors of the
structural data.