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Information card for entry 7128129
Preview
| Coordinates | 7128129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H19 N3 O3 |
|---|---|
| Calculated formula | C24 H19 N3 O3 |
| SMILES | O1c2nc3ccccc3cc2C(c2c1n(nc2C)c1ccccc1)C(=C)C(=O)OC |
| Title of publication | Enantioselective synthesis of functionalized 1,4-dihydropyrazolo-[4',3':5,6]pyrano[2,3-<i>b</i>]quinolines through ferrocenyl-phosphine-catalyzed annulation of modified MBH carbonates and pyrazolones. |
| Authors of publication | Xiao, Xiao; Shao, Bingxuan; Li, Jingyi; Yang, Zehui; Lu, Yin-Jie; Ling, Fei; Zhong, Weihui |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 38 |
| Pages of publication | 4690 - 4693 |
| a | 14.7277 ± 0.0005 Å |
| b | 12.293 ± 0.0004 Å |
| c | 21.1373 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3826.9 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170.15 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7128129.cif |
| 265907 | 2021-06-05 | cif/ Updating files of 7128129 Original log message: Adding full bibliography for 7128129.cif. |
7128129.cif |
| 263922 | 2021-04-07 | cif/ Adding structures of 7128129 via cif-deposit CGI script. |
7128129.cif |
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Users of the data should acknowledge the original authors of the
structural data.