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Information card for entry 1545142
Preview
| Coordinates | 1545142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H39 N3 |
|---|---|
| Calculated formula | C51 H36 N3 |
| Title of publication | Iodine-Catalyzed Direct C‒H Alkenylation of Azaheterocycle N-Oxides with Alkenes |
| Authors of publication | Zhang, Zhenhao; Pi, Chao; Tong, Heng; Cui, Xiuling; Wu, Yangjie |
| Journal of publication | Organic Letters |
| Year of publication | 2017 |
| a | 6.5882 ± 0.0003 Å |
| b | 19.6254 ± 0.0008 Å |
| c | 14.7997 ± 0.0006 Å |
| α | 90° |
| β | 94.733 ± 0.005° |
| γ | 90° |
| Cell volume | 1907.02 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1105 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1454 |
| Weighted residual factors for all reflections included in the refinement | 0.1752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190858 (current) | 2017-01-24 | cif/ Adding structures of 1545142 via cif-deposit CGI script. |
1545142.cif |
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Users of the data should acknowledge the original authors of the
structural data.