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Information card for entry 7132155
Preview
| Coordinates | 7132155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 F3 N4 O6 |
|---|---|
| Calculated formula | C17 H17 F3 N4 O6 |
| Title of publication | Formal (4+2) cycloaddition of azoalkenes with trifluoromethylimidoyl sulfoxonium ylides: synthesis of trifluoromethyl pyridazine derivatives |
| Authors of publication | Wang, Jie; Wang, Shan-Shan; Xiao, Jun; He, Yu-Jie; Wu, Xin-Yan; Li, Xingguang; Liu, Pei-Nian |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 7.8993 ± 0.0005 Å |
| b | 11.6888 ± 0.0007 Å |
| c | 12.4066 ± 0.0008 Å |
| α | 113.99 ± 0.002° |
| β | 103.914 ± 0.002° |
| γ | 90.572 ± 0.002° |
| Cell volume | 1008.35 ± 0.11 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1088 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1492 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286537 (current) | 2023-09-27 | cif/ Adding structures of 7132155, 7132156 via cif-deposit CGI script. |
7132155.cif |
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Users of the data should acknowledge the original authors of the
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