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Information card for entry 1557297
Preview
| Coordinates | 1557297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H19 N3 O5 |
|---|---|
| Calculated formula | C23 H19 N3 O5 |
| SMILES | O=C1N(N=C([C@]21OC=C([C@]12c2c(N(C1=O)C)cccc2)C(=O)OC)C)c1ccccc1 |
| Title of publication | Access to highly enantioselective and diastereoselective spirooxindole dihydrofuran fused pyrazolones. |
| Authors of publication | Warghude, Prakash K.; Sabale, Abhijeet S.; Bhat, Ramakrishna G. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 1794 - 1799 |
| a | 11.2231 ± 0.0013 Å |
| b | 8.1552 ± 0.0009 Å |
| c | 11.9835 ± 0.0014 Å |
| α | 90° |
| β | 115.45 ± 0.005° |
| γ | 90° |
| Cell volume | 990.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557297.cif |
| 257911 | 2020-10-06 | cif/ Updating files of 1557297 Original log message: Adding full bibliography for 1557297.cif. |
1557297.cif |
| 249050 | 2020-03-05 | cif/ Updating files of 1557297 Original log message: Adding full bibliography for 1557297.cif. |
1557297.cif |
| 248027 | 2020-02-11 | cif/ Adding structures of 1557297 via cif-deposit CGI script. |
1557297.cif |
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Users of the data should acknowledge the original authors of the
structural data.