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Information card for entry 1551834
Preview
| Coordinates | 1551834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H32 Cl6 N2 O2 Os S |
|---|---|
| Calculated formula | C35 H32 Cl6 N2 O2 Os S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N1[Os]23456(N[C@@H]([C@H]1c1ccccc1)c1ccccc1)[c]1(c7ccccc7)[cH]2[cH]3[cH]4[cH]5[cH]61.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells |
| Authors of publication | James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler |
| Journal of publication | Nature Chemistry |
| Year of publication | 2018 |
| Journal volume | 10 |
| Pages of publication | 347 - 354 |
| a | 7.95564 ± 0.00014 Å |
| b | 16.3879 ± 0.0003 Å |
| c | 26.8668 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3502.79 ± 0.11 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0436 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551834.cif |
| 216455 | 2019-06-21 | cif/ Adding structures of 1551834 via cif-deposit CGI script. |
1551834.cif |
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Users of the data should acknowledge the original authors of the
structural data.