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Information card for entry 4135457
Preview
| Coordinates | 4135457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H22 I N2 O |
|---|---|
| Calculated formula | C26 H21 I N2 O |
| SMILES | Ic1c2c(nccc2)c(N2C(=O)C[C@@H]2[C@@H](c2ccccc2)Cc2ccccc2)cc1 |
| Title of publication | Enantioselective Alkylamination of Unactivated Alkenes under Copper Catalysis |
| Authors of publication | Bai, Zibo; Zhang, Heng; Wang, Hao; Yu, Hanrui; Chen, Gong; He, Gang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 8.377 ± 0.0006 Å |
| b | 11.524 ± 0.0008 Å |
| c | 22.2398 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2147 ± 0.2 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0452 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| 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 |
|---|---|---|---|
| 260304 (current) | 2021-01-01 | cif/ Adding structures of 4135457 via cif-deposit CGI script. |
4135457.cif |
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Users of the data should acknowledge the original authors of the
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