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Information card for entry 7228896
Preview
| Coordinates | 7228896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 Cl2 N4 O |
|---|---|
| Calculated formula | C4 Cl2 N4 O |
| SMILES | Clc1nc2nonc2nc1Cl |
| Title of publication | 5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties |
| Authors of publication | Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 62 |
| Pages of publication | 38844 |
| a | 10.8387 ± 0.0017 Å |
| b | 7.0582 ± 0.0011 Å |
| c | 16.911 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1293.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0836 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199698 (current) | 2017-08-10 | cif/ Adding structures of 7228894, 7228895, 7228896, 7228897 via cif-deposit CGI script. |
7228896.cif |
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Users of the data should acknowledge the original authors of the
structural data.