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Information card for entry 7055813
Preview
| Coordinates | 7055813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H6 N8 O20 |
|---|---|
| Calculated formula | C12 H6 N8 O20 |
| Title of publication | Studies on the synthesis and properties of polynitro compounds based on esteryl backbones |
| Authors of publication | Xu, Zhen; Yang, Hongwei; Cheng, Guangbin |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 12 |
| Pages of publication | 9936 |
| a | 14.3744 ± 0.0016 Å |
| b | 8.2651 ± 0.001 Å |
| c | 19.305 ± 0.002 Å |
| α | 90° |
| β | 111.692 ± 0.003° |
| γ | 90° |
| Cell volume | 2131.1 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0799 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0657 |
| Weighted residual factors for all reflections included in the refinement | 0.0759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190232 (current) | 2017-01-09 | cif/ Updating files of 7055812, 7055813, 7055814, 7055815 Original log message: Adding full bibliography for 7055812--7055815.cif. |
7055813.cif |
| 187223 | 2016-10-08 | cif/ Adding structures of 7055812, 7055813, 7055814, 7055815 via cif-deposit CGI script. |
7055813.cif |
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Users of the data should acknowledge the original authors of the
structural data.