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Information card for entry 4519064
Preview
| Coordinates | 4519064.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H71 Cl3 Co2 I4 O4 |
|---|---|
| Calculated formula | C73 H71 Cl3 Co2 I4 O4 |
| Title of publication | Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization |
| Authors of publication | Herraiz, Ana G.; Cramer, Nicolai |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 19 |
| Pages of publication | 11938 - 11944 |
| a | 10.41118 ± 0.00008 Å |
| b | 17.39267 ± 0.00012 Å |
| c | 36.5868 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6625.07 ± 0.08 Å3 |
| Cell temperature | 140 ± 0.1 K |
| Ambient diffraction temperature | 140 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269486 (current) | 2021-10-03 | cif/ Adding structures of 4519064 via cif-deposit CGI script. |
4519064.cif |
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