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Information card for entry 7131356
Preview
| Coordinates | 7131356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 N O5 |
|---|---|
| Calculated formula | C22 H19 N O5 |
| SMILES | O=C1[C@](N(=O)=O)(c2c(C=C1)cccc2)CC(=C)C(=O)OCc1ccccc1C |
| Title of publication | Pd-Catalyzed intermolecular asymmetric allylic dearomatization of 1-nitro-2-naphthols with MBH adducts. |
| Authors of publication | Zhang, Qing-Xia; Xie, Jia-Hao; Gu, Qing; You, Shu-Li |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2023 |
| Journal volume | 59 |
| Journal issue | 24 |
| Pages of publication | 3590 - 3593 |
| a | 8.0113 ± 0.0001 Å |
| b | 13.9038 ± 0.0002 Å |
| c | 8.5163 ± 0.0002 Å |
| α | 90° |
| β | 90.38 ± 0.001° |
| γ | 90° |
| Cell volume | 948.59 ± 0.03 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0312 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282253 (current) | 2023-04-04 | cif/ Updating files of 7131356 Original log message: Adding full bibliography for 7131356.cif. |
7131356.cif |
| 281223 | 2023-03-02 | cif/ Adding structures of 7131356 via cif-deposit CGI script. |
7131356.cif |
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Users of the data should acknowledge the original authors of the
structural data.