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Information card for entry 4135372
Preview
| Coordinates | 4135372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H23 N3 O2 |
|---|---|
| Calculated formula | C19 H23 N3 O2 |
| Title of publication | NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes. |
| Authors of publication | Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 48 |
| Pages of publication | 20470 - 20480 |
| a | 10.1005 ± 0.0005 Å |
| b | 11.4816 ± 0.0006 Å |
| c | 15.6108 ± 0.0008 Å |
| α | 84.1313 ± 0.0017° |
| β | 74.5085 ± 0.0015° |
| γ | 70.8989 ± 0.0015° |
| Cell volume | 1648.34 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0581 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4135372.cif |
| 259523 | 2020-12-04 | cif/ Updating files of 4135372, 4135373 Original log message: Adding full bibliography for 4135372--4135373.cif. |
4135372.cif |
| 259199 | 2020-11-20 | cif/ Adding structures of 4135372 via cif-deposit CGI script. |
4135372.cif |
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Users of the data should acknowledge the original authors of the
structural data.