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Information card for entry 4126794
Preview
| Coordinates | 4126794.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H34 Fe N P S |
|---|---|
| Calculated formula | C33 H34 Fe N P S |
| SMILES | [Fe]12345(Sc6ccccc6[P]1(c1ccccc1)c1ccccc1)([n]1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes. |
| Authors of publication | Zhang, Fanjun; Song, Heng; Zhuang, Xuewen; Tung, Chen-Ho; Wang, Wenguang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 19.063 ± 0.006 Å |
| b | 9.464 ± 0.003 Å |
| c | 16.113 ± 0.005 Å |
| α | 90° |
| β | 103.953 ± 0.003° |
| γ | 90° |
| Cell volume | 2821.2 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0248 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203947 (current) | 2017-12-05 | cif/ Adding structures of 4126791, 4126792, 4126793, 4126794, 4126795 via cif-deposit CGI script. |
4126794.cif |
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Users of the data should acknowledge the original authors of the
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