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Information card for entry 7132056
Preview
| Coordinates | 7132056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 123 |
|---|---|
| Formula | C5 H7 N7 O4 |
| Calculated formula | C5 H7 N7 O4 |
| SMILES | O=N1=N/C(=N\C)N2C(C(=CN2)N(=O)=O)=N1.O |
| Title of publication | Synthesis of fused energetic compounds using the structural modification from local carbonyl to hydroxylamine/hydrazone |
| Authors of publication | Lei, Caijin; Xiao, Chuan; Tang, Jie; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 9.9288 ± 0.0003 Å |
| b | 13.3404 ± 0.0004 Å |
| c | 6.9157 ± 0.0002 Å |
| α | 90° |
| β | 102.535 ± 0.002° |
| γ | 90° |
| Cell volume | 894.18 ± 0.05 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1423 |
| Weighted residual factors for all reflections included in the refinement | 0.1467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285876 (current) | 2023-08-26 | cif/ Adding structures of 7132055, 7132056, 7132057 via cif-deposit CGI script. |
7132056.cif |
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