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Information card for entry 7125704
Preview
| Coordinates | 7125704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H20 F6 N2 O4 |
|---|---|
| Calculated formula | C24 H20 F6 N2 O4 |
| Title of publication | Facile access to versatile aza-macrolides through iridium-catalysed cascade allyl-amination/macrolactonization. |
| Authors of publication | Fu, Wei; Wang, Lianhui; Yang, Zi; Shen, Jiang-Shan; Tang, Fei; Zhang, Jiayi; Cui, Xiuling |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 960 - 963 |
| a | 10.163 ± 0.0003 Å |
| b | 10.7505 ± 0.0003 Å |
| c | 10.3964 ± 0.0003 Å |
| α | 90° |
| β | 91.94 ± 0.003° |
| γ | 90° |
| Cell volume | 1135.23 ± 0.06 Å3 |
| Cell temperature | 293.1 ± 0.2 K |
| Ambient diffraction temperature | 293.1 ± 0.2 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125704.cif |
| 247601 | 2020-02-04 | cif/ Updating files of 7125703, 7125704, 7125705, 7125706, 7125707 Original log message: Adding full bibliography for 7125703--7125707.cif. |
7125704.cif |
| 246352 | 2020-01-01 | cif/ Adding structures of 7125703, 7125704, 7125705, 7125706, 7125707 via cif-deposit CGI script. |
7125704.cif |
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Users of the data should acknowledge the original authors of the
structural data.