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Information card for entry 1520715
Preview
| Coordinates | 1520715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | racemic L1 |
|---|---|
| Formula | C28 H28 N2 O4 S4 |
| Calculated formula | C28 H28 N2 O4 S4 |
| Title of publication | Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach |
| Authors of publication | Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 5491 |
| a | 15.181 ± 0.006 Å |
| b | 15.559 ± 0.005 Å |
| c | 23.696 ± 0.007 Å |
| α | 90° |
| β | 105.016 ± 0.018° |
| γ | 90° |
| Cell volume | 5406 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520715.cif |
| 170948 | 2015-12-09 | cif/ Updating files of 1520713, 1520714, 1520715 Original log message: Adding full bibliography for 1520713--1520715.cif. |
1520715.cif |
| 139833 | 2015-07-01 | cif/ Adding structures of 1520713, 1520714, 1520715 via cif-deposit CGI script. |
1520715.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.