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Information card for entry 7716854
Preview
| Coordinates | 7716854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H2 F3 N5 O3 |
|---|---|
| Calculated formula | C6 H2 F3 N5 O3 |
| Title of publication | Synthesis of C-C bonded trifluoromethyl-based high-energy density materials <i>via</i> the ANRORC mechanism. |
| Authors of publication | Kumar, Parasar; Mathpati, Ramling S.; Ghule, Vikas D.; Dharavath, Srinivas |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 36 |
| Pages of publication | 15324 - 15329 |
| a | 15.776 ± 0.0015 Å |
| b | 7.3324 ± 0.0006 Å |
| c | 7.5674 ± 0.0008 Å |
| α | 90° |
| β | 95.769 ± 0.003° |
| γ | 90° |
| Cell volume | 870.93 ± 0.14 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0423 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295261 (current) | 2024-10-06 | cif/ Updating files of 7716853, 7716854 Original log message: Adding full bibliography for 7716853--7716854.cif. |
7716854.cif |
| 294170 | 2024-08-20 | cif/ Adding structures of 7716853, 7716854 via cif-deposit CGI script. |
7716854.cif |
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Users of the data should acknowledge the original authors of the
structural data.