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Information card for entry 7239399
Preview
| Coordinates | 7239399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H31 N O6 |
|---|---|
| Calculated formula | C31 H31 N O6 |
| Title of publication | Design and synthesis of ERα/ERβ selective coumarin and chromene derivatives as potential anti-breast cancer and anti-osteoporotic agents |
| Authors of publication | Hussain, M. Kamil; Ansari, M. Imran; Yadav, N.; Gupta, Puneet K.; Gupta, A. K.; Saxena, R.; Fatima, I.; Manohar, M.; Kushwaha, P.; Khedgikar, V.; Gautam, J.; Kant, Ruchir; Maulik, P. R.; Trivedi, R.; Dwivedi, A.; Kumar, K. Ravi; Saxena, A. K.; Hajela, K. |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 17 |
| Pages of publication | 8828 |
| a | 8.7579 ± 0.0008 Å |
| b | 10.0549 ± 0.0009 Å |
| c | 16.4135 ± 0.0015 Å |
| α | 104.343 ± 0.002° |
| β | 94.619 ± 0.002° |
| γ | 106.2 ± 0.002° |
| Cell volume | 1327.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0671 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1419 |
| Weighted residual factors for all reflections included in the refinement | 0.1548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239399.cif |
| 244681 | 2019-11-28 | cif/ Adding structures of 7239399 via cif-deposit CGI script. |
7239399.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.