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Information card for entry 7054478
Preview
| Coordinates | 7054478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 3,4-Bis(chloroximidoyl)furazane |
|---|---|
| Chemical name | 3,4-Bis(chloroximidoyl)furazane |
| Formula | C4 H2 Cl2 N4 O3 |
| Calculated formula | C4 H2 Cl2 N4 O3 |
| SMILES | ClC(=N\O)/c1nonc1C(=N\O)\Cl |
| Title of publication | Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles |
| Authors of publication | Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 3 |
| Pages of publication | 1619 |
| a | 8.2678 ± 0.0006 Å |
| b | 11.2186 ± 0.0007 Å |
| c | 8.5693 ± 0.0005 Å |
| α | 90° |
| β | 99.912 ± 0.006° |
| γ | 90° |
| Cell volume | 782.97 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0372 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7054478.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7054478.cif |
| 133466 | 2015-03-06 | cif/ Updating files of 7054474, 7054475, 7054476, 7054477, 7054478, 7054479, 7054480, 7054481, 7054482, 7054483, 7054484, 7054485 Original log message: Adding full bibliography for 7054474--7054485.cif. |
7054478.cif |
| 125201 | 2014-10-10 | cif/ Adding structures of 7054474, 7054475, 7054476, 7054477, 7054478, 7054479, 7054480, 7054481, 7054482, 7054483, 7054484, 7054485 via cif-deposit CGI script. |
7054478.cif |
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Users of the data should acknowledge the original authors of the
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