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Information card for entry 7249404
Preview
| Coordinates | 7249404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H9 F2 N O3 |
|---|---|
| Calculated formula | C14 H9 F2 N O3 |
| Title of publication | Utilizing perhalopyridine-based alkynes as suitable precursors for the synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines |
| Authors of publication | Khorasani, Fereshteh; Ranjbar-Karimi, Reza; Mohammadiannejad, Kazem |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 42 |
| Pages of publication | 30873 - 30885 |
| a | 19.806 ± 0.008 Å |
| b | 4.4215 ± 0.0009 Å |
| c | 16.055 ± 0.003 Å |
| α | 90° |
| β | 113.91 ± 0.02° |
| γ | 90° |
| Cell volume | 1285.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1076 |
| Residual factor for significantly intense reflections | 0.0786 |
| Weighted residual factors for significantly intense reflections | 0.1597 |
| Weighted residual factors for all reflections included in the refinement | 0.1736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294938 (current) | 2024-09-29 | cif/ Adding structures of 7249404, 7249405 via cif-deposit CGI script. |
7249404.cif |
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Users of the data should acknowledge the original authors of the
structural data.