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Information card for entry 7237233
Preview
| Coordinates | 7237233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H6 N6 O5 |
|---|---|
| Calculated formula | C3 H6 N6 O5 |
| Title of publication | Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials |
| Authors of publication | Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 45 |
| Pages of publication | 22705 |
| a | 6.785 ± 0.002 Å |
| b | 7.137 ± 0.002 Å |
| c | 7.965 ± 0.002 Å |
| α | 85.052 ± 0.005° |
| β | 74.005 ± 0.005° |
| γ | 84.941 ± 0.005° |
| Cell volume | 368.55 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0828 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| 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 |
|---|---|---|---|
| 237506 (current) | 2019-11-24 | cif/ Adding structures of 7237231, 7237232, 7237233 via cif-deposit CGI script. |
7237233.cif |
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Users of the data should acknowledge the original authors of the
structural data.