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Information card for entry 7237160
Preview
| Coordinates | 7237160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H8 N6 O8 |
|---|---|
| Calculated formula | C2 H8 N6 O8 |
| 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 | 9.2546 ± 0.0011 Å |
| b | 7.8 ± 0.0009 Å |
| c | 13.1353 ± 0.0014 Å |
| α | 90° |
| β | 107.923 ± 0.003° |
| γ | 90° |
| Cell volume | 902.17 ± 0.18 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| 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. |
7237160.cif |
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Users of the data should acknowledge the original authors of the
structural data.