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Information card for entry 7132055
Preview
| Coordinates | 7132055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H5 N7 O5 |
|---|---|
| Calculated formula | C4 H5 N7 O5 |
| SMILES | O=N(=O)C1=CNN2C1=NN(=O)=N/C2=N\O.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 | 4.7059 ± 0.0007 Å |
| b | 10.5914 ± 0.0014 Å |
| c | 8.1537 ± 0.0009 Å |
| α | 90° |
| β | 93.137 ± 0.005° |
| γ | 90° |
| Cell volume | 405.79 ± 0.09 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0803 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7132055.cif |
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Users of the data should acknowledge the original authors of the
structural data.