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Information card for entry 7237138
Preview
| Coordinates | 7237138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H6 N8 O4 |
|---|---|
| Calculated formula | C7 H6 N8 O4 |
| Title of publication | Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds |
| Authors of publication | Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 18 |
| Pages of publication | 8382 |
| a | 9.6012 ± 0.0004 Å |
| b | 11.5875 ± 0.0005 Å |
| c | 9.794 ± 0.0004 Å |
| α | 90° |
| β | 96.837 ± 0.002° |
| γ | 90° |
| Cell volume | 1081.87 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0722 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237444 (current) | 2019-11-24 | cif/ Adding structures of 7237136, 7237137, 7237138, 7237139 via cif-deposit CGI script. |
7237138.cif |
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Users of the data should acknowledge the original authors of the
structural data.