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Information card for entry 4347786
Preview
| Coordinates | 4347786.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | sila-PETNC |
|---|---|
| Chemical name | Tetrakis(nitrocarbamoylmethyl)silane |
| Formula | C8 H12 N8 O16 Si |
| Calculated formula | C8 H12 N8 O16 Si |
| SMILES | [Si](COC(=O)NN(=O)=O)(COC(=O)NN(=O)=O)(COC(=O)NN(=O)=O)COC(=O)NN(=O)=O |
| Title of publication | Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives. |
| Authors of publication | Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 4683 - 4692 |
| a | 10.0675 ± 0.0004 Å |
| b | 10.0675 ± 0.0004 Å |
| c | 9.7196 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 985.13 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4347786.cif |
| 232500 | 2019-11-23 | cif/ Adding structures of 4347781, 4347782, 4347783, 4347784, 4347785, 4347786, 4347787 via cif-deposit CGI script. |
4347786.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.