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Information card for entry 1542388
Preview
| Coordinates | 1542388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 N2 O2 |
|---|---|
| Calculated formula | C12 H11 N2 O2 |
| SMILES | O=C1OCC(NN=C1c1ccccc1)(C)C |
| Title of publication | Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis. |
| Authors of publication | Zheng, Jing; Qi, Jifeng; Cui, Sunliang |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 1 |
| Pages of publication | 128 - 131 |
| a | 22.2134 ± 0.0018 Å |
| b | 5.773 ± 0.0005 Å |
| c | 19.6734 ± 0.0016 Å |
| α | 90° |
| β | 115.56 ± 0.0014° |
| γ | 90° |
| Cell volume | 2276 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0993 |
| Residual factor for significantly intense reflections | 0.082 |
| Weighted residual factors for significantly intense reflections | 0.2294 |
| Weighted residual factors for all reflections included in the refinement | 0.2466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217633 (current) | 2019-08-21 | cif/1: Fixing Z values and formulae |
1542388.cif |
| 175748 | 2016-02-04 | cif/ Adding structures of 1542388 via cif-deposit CGI script. |
1542388.cif |
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Users of the data should acknowledge the original authors of the
structural data.