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Information card for entry 7250131
Preview
| Coordinates | 7250131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N5 O3 S |
|---|---|
| Calculated formula | C19 H21 N5 O3 S |
| Title of publication | Regioselective cyclocondensations with thiobarbituric acid: spirocyclic and azocine products, X-ray characterization, and antioxidant evaluation |
| Authors of publication | Polo-Cuadrado, Efraín; Acosta-Quiroga, Karen; Rojas-Peña, Cristian; Rodriguez-Nuñez, Yeray A.; Blanco-Acuña, Edgard Fabián; Lopez, Jhon J.; Brito, Iván; Cisterna, Jonathan; Alderete, Joel B.; Gutiérrez, Margarita |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 8609 - 8621 |
| a | 8.6243 ± 0.0006 Å |
| b | 20.6113 ± 0.0013 Å |
| c | 10.7734 ± 0.0007 Å |
| α | 90° |
| β | 102.261 ± 0.002° |
| γ | 90° |
| Cell volume | 1871.4 ± 0.2 Å3 |
| Cell temperature | 297.75 K |
| Ambient diffraction temperature | 297.75 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298537 (current) | 2025-03-20 | cif/ Adding structures of 7250131 via cif-deposit CGI script. |
7250131.cif |
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Users of the data should acknowledge the original authors of the
structural data.