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Information card for entry 7238719
Preview
| Coordinates | 7238719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H17 Cl N2 O3 |
|---|---|
| Calculated formula | C15 H17 Cl N2 O3 |
| Title of publication | Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement |
| Authors of publication | Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi |
| Journal of publication | RSC Advances |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 24 |
| Pages of publication | 8949 |
| a | 11.3854 ± 0.0012 Å |
| b | 12.1629 ± 0.0013 Å |
| c | 12.6647 ± 0.0013 Å |
| α | 97.717 ± 0.002° |
| β | 95.368 ± 0.002° |
| γ | 111.818 ± 0.002° |
| Cell volume | 1593.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244314 (current) | 2019-11-28 | cif/ Adding structures of 7238718, 7238719, 7238720 via cif-deposit CGI script. |
7238719.cif |
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Users of the data should acknowledge the original authors of the
structural data.