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Information card for entry 1572203
Preview
| Coordinates | 1572203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H27 F2 N |
|---|---|
| Calculated formula | C30 H27 F2 N |
| SMILES | F/C(=C\c1cc2ccccc2cc1)CN(C(c1ccccc1)c1ccccc1)CC(=C)CF |
| Title of publication | Double strain-release enables formal C-O/C-F and C-N/C-F ring-opening metathesis. |
| Authors of publication | Zhu, Yulei; Jia, Jie; Song, Xiangyu; Gong, Chunyu; Xia, Ying |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 34 |
| Pages of publication | 13800 - 13806 |
| a | 8.2817 ± 0.0006 Å |
| b | 12.1775 ± 0.0011 Å |
| c | 24.094 ± 0.002 Å |
| α | 90° |
| β | 94.072 ± 0.003° |
| γ | 90° |
| Cell volume | 2423.8 ± 0.3 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1264 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1308 |
| Weighted residual factors for all reflections included in the refinement | 0.1694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294497 (current) | 2024-09-06 | cif/ Updating files of 1572203 Original log message: Adding full bibliography for 1572203.cif. |
1572203.cif |
| 293569 | 2024-07-28 | cif/ Adding structures of 1572203 via cif-deposit CGI script. |
1572203.cif |
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Users of the data should acknowledge the original authors of the
structural data.