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Information card for entry 7155575
Preview
| Coordinates | 7155575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H82 F12 N4 O4 |
|---|---|
| Calculated formula | C72 H82 F12 N4 O4 |
| Title of publication | Selective Construction of Quaternary Stereocentres in Radical Cyclisation Cascades triggered by electron-transfer reduction of amide-type carbonyls |
| Authors of publication | Huang, Huan-Ming; Bonilla, Pablo; Procter, David John |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 11.6196 ± 0.0007 Å |
| b | 13.8475 ± 0.0008 Å |
| c | 21.0449 ± 0.0012 Å |
| α | 89.1 ± 0.005° |
| β | 83.969 ± 0.005° |
| γ | 83.67 ± 0.005° |
| Cell volume | 3346.9 ± 0.3 Å3 |
| Cell temperature | 150.02 ± 0.1 K |
| Ambient diffraction temperature | 150.02 ± 0.1 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 | 0.1656 |
| Residual factor for significantly intense reflections | 0.095 |
| Weighted residual factors for significantly intense reflections | 0.2256 |
| Weighted residual factors for all reflections included in the refinement | 0.2787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155575.cif |
| 195411 | 2017-04-13 | cif/ Adding structures of 7155574, 7155575 via cif-deposit CGI script. |
7155575.cif |
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Users of the data should acknowledge the original authors of the
structural data.