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Information card for entry 7224781
Preview
| Coordinates | 7224781.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H6 N12 O21 |
|---|---|
| Calculated formula | C9 H6 N12 O21 |
| 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 | 10.9186 ± 0.0015 Å |
| b | 17.007 ± 0.002 Å |
| c | 35.3 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6554.9 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1396 |
| Residual factor for significantly intense reflections | 0.0792 |
| Weighted residual factors for significantly intense reflections | 0.1802 |
| Weighted residual factors for all reflections included in the refinement | 0.2113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
7224781.cif |
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Users of the data should acknowledge the original authors of the
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