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Information card for entry 7045093
Preview
| Coordinates | 7045093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H15 N O3 |
|---|---|
| Calculated formula | C16 H15 N O3 |
| SMILES | C(=O)(c1ccc(cc1)/C=N/c1ccc(cc1)OCC)O |
| Title of publication | Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells. |
| Authors of publication | Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 6 |
| Pages of publication | 1993 - 2008 |
| a | 4.8722 ± 0.0006 Å |
| b | 7.6353 ± 0.0008 Å |
| c | 19.256 ± 0.002 Å |
| α | 92.857 ± 0.009° |
| β | 96.511 ± 0.009° |
| γ | 104.261 ± 0.01° |
| Cell volume | 687.53 ± 0.14 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 | 0.1559 |
| Residual factor for significantly intense reflections | 0.0857 |
| Weighted residual factors for significantly intense reflections | 0.2099 |
| Weighted residual factors for all reflections included in the refinement | 0.2578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7045093.cif |
| 229587 | 2019-11-17 | cif/ Updating files of 7045092, 7045093, 7045094, 7045095, 7045096, 7045097, 7045098, 7045099, 7045100 Original log message: Adding full bibliography for 7045092--7045100.cif. |
7045093.cif |
| 204386 | 2017-12-20 | cif/ Adding structures of 7045092, 7045093, 7045094, 7045095, 7045096, 7045097, 7045098, 7045099, 7045100 via cif-deposit CGI script. |
7045093.cif |
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Users of the data should acknowledge the original authors of the
structural data.