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Information card for entry 4518807
Preview
| Coordinates | 4518807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H5 N8 O3 |
|---|---|
| Calculated formula | C4 H5 N8 O3 |
| Title of publication | Self-Assembly of Nitrogen-Rich Heterocyclic Compounds with Oxidants for the Development of High-Energy Materials. |
| Authors of publication | Zheng, Yue; Qi, Xiujuan; Chen, Sitong; Song, Siwei; Zhang, Yaping; Wang, Kangcai; Zhang, Qinghua |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 24 |
| Pages of publication | 28390 - 28397 |
| a | 5.0497 ± 0.0002 Å |
| b | 6.4021 ± 0.0002 Å |
| c | 12.9263 ± 0.0005 Å |
| α | 82.558 ± 0.003° |
| β | 84.65 ± 0.003° |
| γ | 70.411 ± 0.003° |
| Cell volume | 389.83 ± 0.03 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266948 (current) | 2021-07-04 | cif/ Updating files of 4518807, 4518808, 4518809 Original log message: Adding full bibliography for 4518807--4518809.cif. |
4518807.cif |
| 266363 | 2021-06-11 | cif/ Adding structures of 4518807 via cif-deposit CGI script. |
4518807.cif |
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Users of the data should acknowledge the original authors of the
structural data.