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Information card for entry 7224782
Preview
| Coordinates | 7224782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H6 N10 O14 |
|---|---|
| Calculated formula | C7 H6 N10 O14 |
| Title of publication | Novel trinitroethanol derivatives: High energetic 2-(2,2,2-Trinitroethoxy)-1,3,5-triazines |
| Authors of publication | Gidaspov, Alexander A.; Zalomlenkov, Vladimir A.; Bakharev, Vladimir V.; Parfenov, Victor E.; Yurtaev, Evgeniy V.; Struchkova, Marina I.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill; Lempert, David B.; Sheremetev, Aleksei B. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 6.0315 ± 0.0005 Å |
| b | 11.7427 ± 0.001 Å |
| c | 11.9923 ± 0.001 Å |
| α | 101.5 ± 0.002° |
| β | 101.738 ± 0.002° |
| γ | 97.607 ± 0.002° |
| Cell volume | 801.56 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0773 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180704 (current) | 2016-04-02 | cif/ Adding structures of 7224781, 7224782, 7224783 via cif-deposit CGI script. |
7224782.cif |
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Users of the data should acknowledge the original authors of the
structural data.