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Information card for entry 1553448
Preview
| Coordinates | 1553448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 F N4 |
|---|---|
| Calculated formula | C23 H21 F N4 |
| Title of publication | Base-induced synthesis of N-dialkylaminomethyl-2H-1,2,3-triazoles from N-sulfonyl-1,2,3-triazoles |
| Authors of publication | Jiang, Yu; Wang, Qiang; Sun, Run; Tang, Xiang-Ying; Shi, Min |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 744 |
| a | 10.5273 ± 0.0012 Å |
| b | 11.4221 ± 0.0014 Å |
| c | 34.217 ± 0.004 Å |
| α | 90.072 ± 0.003° |
| β | 98.137 ± 0.003° |
| γ | 105.697 ± 0.003° |
| Cell volume | 3917.7 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1396 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1742 |
| Weighted residual factors for all reflections included in the refinement | 0.2272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235007 (current) | 2019-11-23 | cif/ Adding structures of 1553448 via cif-deposit CGI script. |
1553448.cif |
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Users of the data should acknowledge the original authors of the
structural data.