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Information card for entry 7705108
Preview
| Coordinates | 7705108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C4 H8 N10 O3 |
|---|---|
| Calculated formula | C4 H8 N10 O3 |
| SMILES | O=N(=O)c1nc(N)n(n1)Cc1[n-]nnn1.O[NH3+] |
| Title of publication | Azo- and methylene-bridged mixed azoles for stable and insensitive energetic applications. |
| Authors of publication | Chinnam, Ajay Kumar; Yu, Qiong; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 33 |
| Pages of publication | 11498 - 11503 |
| a | 4.2376 ± 0.0003 Å |
| b | 7.3733 ± 0.0005 Å |
| c | 15.1316 ± 0.001 Å |
| α | 96.429 ± 0.003° |
| β | 94.148 ± 0.003° |
| γ | 96.09 ± 0.003° |
| Cell volume | 465.46 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7705108.cif |
| 256069 | 2020-09-06 | cif/ Updating files of 7705107, 7705108 Original log message: Adding full bibliography for 7705107--7705108.cif. |
7705108.cif |
| 255247 | 2020-08-12 | cif/ Adding structures of 7705107, 7705108 via cif-deposit CGI script. |
7705108.cif |
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Users of the data should acknowledge the original authors of the
structural data.