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Information card for entry 7056894
Preview
| Coordinates | 7056894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C4 H5 F N6 O4 |
|---|---|
| Calculated formula | C4 H5 F N6 O4 |
| Title of publication | Functionalization of fluorodinitroethylamino derivatives based on azole: a new family of insensitive energetic materials |
| Authors of publication | Wang, Weixia; Cheng, Guangbin; Xiong, Hualin; Yang, Hongwei |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 4 |
| Pages of publication | 2994 |
| a | 6.372 ± 0.0006 Å |
| b | 9.3611 ± 0.0009 Å |
| c | 14.5803 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 869.7 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0599 |
| Weighted residual factors for all reflections included in the refinement | 0.0652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7056894.cif |
| 230276 | 2019-11-17 | cif/ Updating files of 7056894, 7056895, 7056896 Original log message: Adding full bibliography for 7056894--7056896.cif. |
7056894.cif |
| 205149 | 2018-01-13 | cif/ Adding structures of 7056894, 7056895, 7056896 via cif-deposit CGI script. |
7056894.cif |
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Users of the data should acknowledge the original authors of the
structural data.