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Information card for entry 7125706
Preview
| Coordinates | 7125706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H26 N2 O6 |
|---|---|
| Calculated formula | C24 H26 N2 O6 |
| 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 | 11.5668 ± 0.0005 Å |
| b | 17.1785 ± 0.0009 Å |
| c | 23.0513 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4580.3 ± 0.4 Å3 |
| Cell temperature | 293.1 ± 0.2 K |
| Ambient diffraction temperature | 293.1 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1159 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7125706.cif |
| 247601 | 2020-02-04 | cif/ Updating files of 7125703, 7125704, 7125705, 7125706, 7125707 Original log message: Adding full bibliography for 7125703--7125707.cif. |
7125706.cif |
| 246352 | 2020-01-01 | cif/ Adding structures of 7125703, 7125704, 7125705, 7125706, 7125707 via cif-deposit CGI script. |
7125706.cif |
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Users of the data should acknowledge the original authors of the
structural data.