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Information card for entry 1505021
Preview
| Coordinates | 1505021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H33 Cl N8 O7 Pt S |
|---|---|
| Calculated formula | C21 H32 Cl N8 O7 Pt S |
| SMILES | [Pt]1(Cl)([S]=C(NC)N(CCNc2c3ccccc3[nH+]c3ccccc23)C)[NH2]CCC[NH2]1.N(=O)(=O)[O-].N(=O)(=O)[O-].O |
| Title of publication | Effect of the diamine nonleaving group in platinum-acridinylthiourea conjugates on DNA damage and cytotoxicity. |
| Authors of publication | Guddneppanavar, Rajsekhar; Choudhury, Jayati Roy; Kheradi, Alexander R.; Steen, Bartlett D.; Saluta, Gilda; Kucera, Gregory L.; Day, Cynthia S.; Bierbach, Ulrich |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2007 |
| Journal volume | 50 |
| Journal issue | 9 |
| Pages of publication | 2259 - 2263 |
| a | 10.6463 ± 0.0015 Å |
| b | 10.9812 ± 0.0015 Å |
| c | 13.1259 ± 0.0018 Å |
| α | 90.642 ± 0.002° |
| β | 99.622 ± 0.002° |
| γ | 113.788 ± 0.002° |
| Cell volume | 1379.1 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1505021.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505021.cif |
| 45282 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505020, 1505021, 1505022, 1505023 via cif-deposit CGI script. |
1505021.cif |
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Users of the data should acknowledge the original authors of the
structural data.