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Information card for entry 7240562
Preview
| Coordinates | 7240562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H18 N2 O3 |
|---|---|
| Calculated formula | C25 H18 N2 O3 |
| SMILES | O=C(/C(=C\1C(=NN(c2ccccc2)C1=O)C)c1ccccc1)C(=O)c1ccccc1 |
| Title of publication | Cascade annulation reaction (CAR): highly diastereoselective synthesis of pyranopyrazole scaffolds |
| Authors of publication | Bakthadoss, Manickam; Surendar, Manickam |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 32 |
| Pages of publication | 19003 - 19007 |
| a | 9.6663 ± 0.0014 Å |
| b | 10.7447 ± 0.0016 Å |
| c | 10.7533 ± 0.001 Å |
| α | 66.9 ± 0.012° |
| β | 85.83 ± 0.01° |
| γ | 80.391 ± 0.012° |
| Cell volume | 1012.9 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240562.cif |
| 258001 | 2020-10-06 | cif/ Updating files of 7240561, 7240562 Original log message: Adding full bibliography for 7240561--7240562.cif. |
7240562.cif |
| 252204 | 2020-05-20 | cif/ Adding structures of 7240561, 7240562 via cif-deposit CGI script. |
7240562.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.