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Information card for entry 7247464
Preview
| Coordinates | 7247464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H11 N7 O11 |
|---|---|
| Calculated formula | C16 H11 N7 O11 |
| SMILES | c1(c(c(c2c(cc(cc2)N(=O)=O)N(=O)=O)[nH]n1)N(=O)=O)c1c(cc(cc1)N(=O)=O)N(=O)=O.CO |
| Title of publication | Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons |
| Authors of publication | Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 41 |
| Pages of publication | 5827 - 5833 |
| a | 26.806 ± 0.004 Å |
| b | 7.7681 ± 0.001 Å |
| c | 20.357 ± 0.003 Å |
| α | 90° |
| β | 112.251 ± 0.003° |
| γ | 90° |
| Cell volume | 3923.3 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1105 |
| Residual factor for significantly intense reflections | 0.0702 |
| Weighted residual factors for significantly intense reflections | 0.1647 |
| Weighted residual factors for all reflections included in the refinement | 0.187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287336 (current) | 2023-11-06 | cif/ Updating files of 7247464, 7247465 Original log message: Adding full bibliography for 7247464--7247465.cif. |
7247464.cif |
| 286640 | 2023-10-04 | cif/ Adding structures of 7247464, 7247465 via cif-deposit CGI script. |
7247464.cif |
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Users of the data should acknowledge the original authors of the
structural data.