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Information card for entry 7159908
Preview
| Coordinates | 7159908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H16 O6 |
|---|---|
| Calculated formula | C25 H16 O6 |
| SMILES | o1c2ccccc2c(O)c(c1=O)C(c1c(O)c2c(oc1=O)cccc2)c1ccccc1 |
| Title of publication | Revisiting Biginelli-like reactions: solvent effects, mechanisms, biological applications and correction of several literature reports. |
| Authors of publication | Beck, Pedro S.; Leitão, Arthur G; Santana, Yasmin B.; Correa, José R; Rodrigues, Carime V. S.; Machado, Daniel F. S.; Matos, Guilherme D. R.; Ramos, Luciana M.; Gatto, Claudia C.; Oliveira, Sarah C. C.; Andrade, Carlos K. Z.; Neto, Brenno A. D. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 18 |
| Pages of publication | 3630 - 3651 |
| a | 7.965 ± 0.003 Å |
| b | 12.839 ± 0.004 Å |
| c | 18.595 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1901.6 ± 1.1 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0865 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.884 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293264 (current) | 2024-07-05 | cif/ Updating files of 7159908 Original log message: Adding full bibliography for 7159908.cif. |
7159908.cif |
| 291285 | 2024-04-19 | cif/ Adding structures of 7159908 via cif-deposit CGI script. |
7159908.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.