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Information card for entry 4132386
Preview
| Coordinates | 4132386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N3 O3 |
|---|---|
| Calculated formula | C19 H17 N3 O3 |
| SMILES | O(c1cc(N)c(N(=O)=O)cc1)c1ccc(NCc2ccccc2)cc1 |
| Title of publication | Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>. |
| Authors of publication | Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 23 |
| Pages of publication | 7292 - 7300 |
| a | 8.1093 ± 0.0002 Å |
| b | 12.3368 ± 0.0003 Å |
| c | 16.6982 ± 0.0003 Å |
| α | 86.58 ± 0.002° |
| β | 77.534 ± 0.002° |
| γ | 86.696 ± 0.002° |
| Cell volume | 1626.53 ± 0.06 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.057 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242368 (current) | 2019-11-26 | cif/ Adding structures of 4132385, 4132386, 4132387, 4132388, 4132389 via cif-deposit CGI script. |
4132386.cif |
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Users of the data should acknowledge the original authors of the
structural data.