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Information card for entry 7238720
Preview
| Coordinates | 7238720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 Br Cl N3 O4 |
|---|---|
| Calculated formula | C21 H19 Br Cl N3 O4 |
| 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 | 11.936 ± 0.002 Å |
| b | 9.6365 ± 0.0017 Å |
| c | 21.342 ± 0.003 Å |
| α | 90° |
| β | 116.511 ± 0.007° |
| γ | 90° |
| Cell volume | 2196.7 ± 0.6 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0667 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1401 |
| Weighted residual factors for all reflections included in the refinement | 0.1493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| 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. |
7238720.cif |
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Users of the data should acknowledge the original authors of the
structural data.