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Information card for entry 7710984
Preview
| Coordinates | 7710984.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H6 N6 O10 |
|---|---|
| Calculated formula | C5 H6 N6 O10 |
| SMILES | O=N(=O)C(N(=O)=O)(N(=O)=O)CN1CC(N(=O)=O)(N(=O)=O)C1 |
| 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 | 8.5418 ± 0.0005 Å |
| b | 7.1633 ± 0.0004 Å |
| c | 9.5501 ± 0.0005 Å |
| α | 90° |
| β | 101.779 ± 0.0016° |
| γ | 90° |
| Cell volume | 572.04 ± 0.06 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| 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. |
7710984.cif |
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Users of the data should acknowledge the original authors of the
structural data.