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Information card for entry 7237158
Preview
| Coordinates | 7237158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H9 N5 O7 |
|---|---|
| Calculated formula | C2 H9 N5 O7 |
| Title of publication | Taming of tetranitroethane: a promising precursor for high performance energetic ingredients |
| Authors of publication | Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 32 |
| Pages of publication | 15815 |
| a | 3.7131 ± 0.0015 Å |
| b | 9.097 ± 0.004 Å |
| c | 12.626 ± 0.005 Å |
| α | 108.745 ± 0.007° |
| β | 96.5 ± 0.005° |
| γ | 98.409 ± 0.005° |
| Cell volume | 393.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237460 (current) | 2019-11-24 | cif/ Adding structures of 7237157, 7237158, 7237159, 7237160 via cif-deposit CGI script. |
7237158.cif |
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Users of the data should acknowledge the original authors of the
structural data.