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Information card for entry 1555492
Preview
| Coordinates | 1555492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 N3 O3 |
|---|---|
| Calculated formula | C16 H17 N3 O3 |
| Title of publication | Cobalt(II)-Catalyzed C-H Amination of Arenes with Simple Alkylamines. |
| Authors of publication | Zhang, Lin-Bao; Zhang, Shou-Kun; Wei, Donghui; Zhu, Xinju; Hao, Xin-Qi; Su, Jian-Hang; Niu, Jun-Long; Song, Mao-Ping |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1318 - 1321 |
| a | 8.6512 ± 0.0006 Å |
| b | 13.1178 ± 0.0007 Å |
| c | 13.2085 ± 0.0009 Å |
| α | 94.755 ± 0.005° |
| β | 97.921 ± 0.006° |
| γ | 102.375 ± 0.005° |
| Cell volume | 1440.34 ± 0.17 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 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 | 0.054 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238788 (current) | 2019-11-24 | cif/ Adding structures of 1555492 via cif-deposit CGI script. |
1555492.cif |
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Users of the data should acknowledge the original authors of the
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