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Information card for entry 7056225
Preview
| Coordinates | 7056225.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H28 N8 O24 |
|---|---|
| Calculated formula | C34 H28 N8 O24 |
| Title of publication | 14,16,34,36,54,56,74,76-octanitro-2,4,6,8-tetraoxa-1,3,5,7(1,3) -tetrabenzenacyclooctaphane and its derivatives: Thermally Stable Explosive with Outstanding Properties |
| Authors of publication | Zhang, Cheng Xing; Cheng, Guangbin; xiong, hualin; yang, hongwei |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 11.2554 ± 0.0006 Å |
| b | 19.5586 ± 0.0009 Å |
| c | 20.6007 ± 0.001 Å |
| α | 99.125 ± 0.002° |
| β | 98.574 ± 0.002° |
| γ | 95.584 ± 0.002° |
| Cell volume | 4393.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1398 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196932 (current) | 2017-05-24 | cif/ Adding structures of 7056224, 7056225 via cif-deposit CGI script. |
7056225.cif |
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Users of the data should acknowledge the original authors of the
structural data.