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Information card for entry 7155574
Preview
| Coordinates | 7155574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H40 N2 O4 |
|---|---|
| Calculated formula | C33 H40 N2 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 | 11.4817 ± 0.0006 Å |
| b | 11.8623 ± 0.0007 Å |
| c | 12.3995 ± 0.0007 Å |
| α | 76.664 ± 0.005° |
| β | 63.649 ± 0.006° |
| γ | 70.861 ± 0.005° |
| Cell volume | 1422.43 ± 0.16 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1365 |
| Residual factor for significantly intense reflections | 0.0741 |
| Weighted residual factors for significantly intense reflections | 0.1649 |
| Weighted residual factors for all reflections included in the refinement | 0.2091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| 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. |
7155574.cif |
| 195411 | 2017-04-13 | cif/ Adding structures of 7155574, 7155575 via cif-deposit CGI script. |
7155574.cif |
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Users of the data should acknowledge the original authors of the
structural data.