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Information card for entry 7061670
Preview
| Coordinates | 7061670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H33 Cl F3 N O9 |
|---|---|
| Calculated formula | C38 H33 Cl F3 N O9 |
| SMILES | Clc1cc2[C@H]3C4=C(O[C@@H](c5cc(OC)c(O)cc5)CC4=O)C[C@@H]([C@@]3(N(=O)=O)[C@@H](Oc2cc1)C(F)(F)F)c1ccc(O)c(OC)c1.c1c(cccc1)C.Clc1cc2[C@@H]3C4=C(O[C@H](c5cc(OC)c(O)cc5)CC4=O)C[C@H]([C@]3(N(=O)=O)[C@H](Oc2cc1)C(F)(F)F)c1ccc(O)c(OC)c1.c1c(cccc1)C |
| 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 | 8.9834 ± 0.001 Å |
| b | 11.4504 ± 0.0011 Å |
| c | 19.4781 ± 0.0018 Å |
| α | 73.898 ± 0.008° |
| β | 86.642 ± 0.008° |
| γ | 83.762 ± 0.008° |
| Cell volume | 1912.7 ± 0.3 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 | 0.177662 |
| Residual factor for significantly intense reflections | 0.073808 |
| Weighted residual factors for all reflections included in the refinement | 0.225982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04314 |
| 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. |
7061670.cif |
| 276935 | 2022-07-26 | cif/ Adding structures of 7061667, 7061668, 7061669, 7061670, 7061671 via cif-deposit CGI script. |
7061670.cif |
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Users of the data should acknowledge the original authors of the
structural data.