Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4125478
Preview
| Coordinates | 4125478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19.5 H33.5 N4 O3 S Si |
|---|---|
| Calculated formula | C19.5 H33.5 N4 O3 S Si |
| Title of publication | Fe-Catalyzed C-C Bond Construction from Olefins via Radicals. |
| Authors of publication | Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 6 |
| Pages of publication | 2484 - 2503 |
| a | 8.0108 ± 0.0003 Å |
| b | 16.3497 ± 0.0005 Å |
| c | 36.6816 ± 0.0012 Å |
| α | 90° |
| β | 90.004 ± 0.002° |
| γ | 90° |
| Cell volume | 4804.3 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.0698 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1423 |
| Weighted residual factors for all reflections included in the refinement | 0.1513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| 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 |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4125478.cif |
| 193509 | 2017-03-04 | cif/ Updating files of 4125478 Original log message: Adding full bibliography for 4125478.cif. |
4125478.cif |
| 192546 | 2017-03-01 | cif/ Adding structures of 4125478 via cif-deposit CGI script. |
4125478.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.