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Information card for entry 7056820
Preview
| Coordinates | 7056820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H11 N O2 |
|---|---|
| Calculated formula | C15 H11 N O2 |
| SMILES | O=C1/C(=C(\O)c2ccncc2)Cc2ccccc12 |
| Title of publication | Anticarcinogenic and metal chelation properties of novel hydroxybenzylidene-1-indanone derivatives in the U-251 glioblastoma cell line |
| Authors of publication | Lozano-Gonzalez, Mariana; Ramírez-Apan, María Teresa; Nieto-Camacho, Antonio; Toscano, Ruben Alfredo; Sanchez-Sandoval, Ana Laura; Alvarez-Toledano, Cecilio |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 5 |
| Pages of publication | 3878 |
| a | 20.7006 ± 0.0007 Å |
| b | 10.2318 ± 0.0003 Å |
| c | 14.8913 ± 0.0005 Å |
| α | 90° |
| β | 133.694 ± 0.001° |
| γ | 90° |
| Cell volume | 2280.5 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| 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 |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7056820.cif |
| 230255 | 2019-11-17 | cif/ Updating files of 7056820, 7056821 Original log message: Adding full bibliography for 7056820--7056821.cif. |
7056820.cif |
| 204307 | 2017-12-16 | cif/ Adding structures of 7056820, 7056821 via cif-deposit CGI script. |
7056820.cif |
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Users of the data should acknowledge the original authors of the
structural data.