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Information card for entry 7061671
Preview
| Coordinates | 7061671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H22 Cl2 F3 N3 O3 |
|---|---|
| Calculated formula | C33 H22 Cl2 F3 N3 O3 |
| SMILES | Clc1cc2[C@H]3[C@@](N(=O)=O)([C@H](Oc2cc1)C(F)(F)F)[C@@H](Cc1nn(c(c31)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1.Clc1cc2[C@@H]3[C@](N(=O)=O)([C@@H](Oc2cc1)C(F)(F)F)[C@H](Cc1nn(c(c31)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 |
| Title of publication | Highly diastereoselective annulation of 2-substituted 3-nitro-2H-chromenes with hemicurcuminoids and curcuminoids via a double and triple Michael reaction cascade |
| Authors of publication | Zimnitskiy, Nikolay S.; Barkov, Alexey Yu.; Kochnev, Ivan A.; Kutyashev, Igor B.; Korotaev, Vladislav Yu.; Sosnovskikh, Vyacheslav Ya. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 33 |
| Pages of publication | 16047 - 16057 |
| a | 8.4663 ± 0.0007 Å |
| b | 12.6932 ± 0.0012 Å |
| c | 13.86 ± 0.0013 Å |
| α | 79.867 ± 0.008° |
| β | 78.202 ± 0.007° |
| γ | 85.035 ± 0.007° |
| Cell volume | 1433.3 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1474 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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 |
|---|---|---|---|
| 277672 (current) | 2022-09-06 | cif/ Updating files of 7061667, 7061668, 7061669, 7061670, 7061671 Original log message: Adding full bibliography for 7061667--7061671.cif. |
7061671.cif |
| 276935 | 2022-07-26 | cif/ Adding structures of 7061667, 7061668, 7061669, 7061670, 7061671 via cif-deposit CGI script. |
7061671.cif |
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Users of the data should acknowledge the original authors of the
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