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Information card for entry 7236128
Preview
| Coordinates | 7236128.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H4 N8 O7 |
|---|---|
| Calculated formula | C5 H4 N8 O7 |
| Title of publication | C‒N bonded energetic biheterocyclic compounds with good detonation performance and high thermal stability |
| Authors of publication | Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2016 |
| Journal volume | 4 |
| Journal issue | 10 |
| Pages of publication | 3879 |
| a | 16.562 ± 0.009 Å |
| b | 5.114 ± 0.003 Å |
| c | 25.032 ± 0.014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2120 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1055 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.894 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233944 (current) | 2019-11-23 | cif/ Adding structures of 7236128 via cif-deposit CGI script. |
7236128.cif |
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Users of the data should acknowledge the original authors of the
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