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Information card for entry 7155061
Preview
| Coordinates | 7155061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | NA |
|---|---|
| Chemical name | Benzimidazole nucleosides |
| Formula | C16 H18 N2 O3 |
| Calculated formula | C16 H18 N2 O3 |
| SMILES | n1(cnc2c1cccc2)[C@@H]1O[C@@H]([C@]([C@H]1O)(O)CC=C)C=C |
| Title of publication | Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis. |
| Authors of publication | Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 17 |
| Pages of publication | 4136 - 4145 |
| a | 5.7178 ± 0.0003 Å |
| b | 10.4187 ± 0.0005 Å |
| c | 24.9522 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1486.45 ± 0.12 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0742 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1795 |
| Weighted residual factors for all reflections included in the refinement | 0.2029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155061.cif |
| 182791 | 2016-05-06 | cif/ Updating files of 7155061, 7155062 Original log message: Adding full bibliography for 7155061--7155062.cif. |
7155061.cif |
| 181844 | 2016-04-06 | cif/ Adding structures of 7155061, 7155062 via cif-deposit CGI script. |
7155061.cif |
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Users of the data should acknowledge the original authors of the
structural data.