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Information card for entry 1502669
Preview
| Coordinates | 1502669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H33 F12 N7 O2 P2 Ru |
|---|---|
| Calculated formula | C38 H33 F12 N7 O2 P2 Ru |
| SMILES | [Ru]123([n]4c(c5[n]1ccc1c5[nH]c5c1cccc5)cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.CO |
| Title of publication | Nuclear permeable ruthenium(II) β-carboline complexes induce autophagy to antagonize mitochondrial-mediated apoptosis. |
| Authors of publication | Tan, Caiping; Lai, Sensen; Wu, Shouhai; Hu, Sheng; Zhou, Lingjun; Chen, Yu; Wang, Minxu; Zhu, Yiping; Lian, Wu; Peng, Wenlie; Ji, Liangnian; Xu, Anlong |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2010 |
| Journal volume | 53 |
| Journal issue | 21 |
| Pages of publication | 7613 - 7624 |
| a | 14.756 ± 0.0014 Å |
| b | 18.5156 ± 0.0017 Å |
| c | 15.3421 ± 0.0014 Å |
| α | 90° |
| β | 113.283 ± 0.002° |
| γ | 90° |
| Cell volume | 3850.4 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0639 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1502669.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502669.cif |
| 36623 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502669 via cif-deposit CGI script. |
1502669.cif |
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Users of the data should acknowledge the original authors of the
structural data.