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Information card for entry 4517167
Preview
| Coordinates | 4517167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 N2 O |
|---|---|
| Calculated formula | C18 H24 N2 O |
| SMILES | O(c1ncc(NC(c2ccc(C(C)(C)C)cc2)C)cc1)C |
| Title of publication | Iron-Catalyzed Reductive Coupling of Nitroarenes with Olefins: Intermediate of Iron‒Nitroso Complex |
| Authors of publication | Song, Heng; Yang, Zhuoyi; Tung, Chen-Ho; Wang, Wenguang |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Pages of publication | 276 |
| a | 11.3428 ± 0.0003 Å |
| b | 11.7215 ± 0.0003 Å |
| c | 24.5548 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3264.67 ± 0.15 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.1517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| 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 |
|---|---|---|---|
| 245062 (current) | 2019-12-14 | cif/ Adding structures of 4517165, 4517166, 4517167, 4517168 via cif-deposit CGI script. |
4517167.cif |
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