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Information card for entry 7123340
Preview
| Coordinates | 7123340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H9 N11 O3 |
|---|---|
| Calculated formula | C7 H9 N11 O3 |
| Title of publication | Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials |
| Authors of publication | wang, qian; Shao, Yanli; Lu, Ming |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 27.752 ± 0.005 Å |
| b | 6.2922 ± 0.0014 Å |
| c | 6.9744 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1217.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1279 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1555 |
| Weighted residual factors for all reflections included in the refinement | 0.1852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214801 (current) | 2019-04-27 | cif/ Adding structures of 7123336, 7123337, 7123338, 7123339, 7123340 via cif-deposit CGI script. |
7123340.cif |
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Users of the data should acknowledge the original authors of the
structural data.