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Information card for entry 7118284
Preview
| Coordinates | 7118284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,1,2,2-Tetranitratoethane |
|---|---|
| Chemical name | 1,1,2,2-Tetranitratoethane |
| Formula | C2 H2 N4 O12 |
| Calculated formula | C2 H2 N4 O12 |
| SMILES | C(ON(=O)=O)(C(ON(=O)=O)ON(=O)=O)ON(=O)=O |
| Title of publication | Tetranitratoethane. |
| Authors of publication | Fischer, Dennis; Klapötke, Thomas M; Stierstorfer, Jörg |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 916 - 918 |
| a | 7.5489 ± 0.0004 Å |
| b | 7.2995 ± 0.0003 Å |
| c | 8.3759 ± 0.0008 Å |
| α | 90° |
| β | 97.935 ± 0.006° |
| γ | 90° |
| Cell volume | 457.12 ± 0.05 Å3 |
| Cell temperature | 173.05 ± 0.1 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 173513 (current) | 2016-01-06 | cif/ Adding structures of 7118284 via cif-deposit CGI script. |
7118284.cif |
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Users of the data should acknowledge the original authors of the
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