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Information card for entry 8105664
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| Coordinates | 8105664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine |
|---|---|
| Formula | C12 H16 N4 O12 |
| Calculated formula | C12 H16 N4 O12 |
| Title of publication | The crystal structure of 1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O12 |
| Authors of publication | Yunlu, Li; Mei, Xue; Jianlong, Wang; Luyao, Zhang; Jie, Ning |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 3 |
| Pages of publication | 417 - 418 |
| a | 16.0836 ± 0.0017 Å |
| b | 8.0165 ± 0.0007 Å |
| c | 14.7754 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1905.1 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 55 |
| Hermann-Mauguin space group symbol | P b a m |
| Hall space group symbol | -P 2 2ab |
| Residual factor for all reflections | 0.1018 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1207 |
| Weighted residual factors for all reflections included in the refinement | 0.1606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276735 (current) | 2022-07-08 | cif/ Adding structures of 8105664 via cif-deposit CGI script. |
8105664.cif |
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