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Information card for entry 1501651
Preview
| Coordinates | 1501651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 B10 Fe O S2 |
|---|---|
| Calculated formula | C15 H20 B10 Fe O S2 |
| SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]615[BH]152[BH]%11%14([BH]%15961)[C]14%135[C]37%10%12SC=C(C(=O)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)S1 |
| Title of publication | New potential anticancer agent of carborane derivatives: selective cellular interaction and activity of ferrocene-substituted dithio-o-carborane conjugates. |
| Authors of publication | Wu, Chunhui; Ye, Hongde; Bai, Wenjuan; Li, Qingning; Guo, Dadong; Lv, Gang; Yan, Hong; Wang, Xuemei |
| Journal of publication | Bioconjugate chemistry |
| Year of publication | 2011 |
| Journal volume | 22 |
| Journal issue | 1 |
| Pages of publication | 16 - 25 |
| a | 13.874 ± 0.003 Å |
| b | 20.663 ± 0.002 Å |
| c | 7.3166 ± 0.0015 Å |
| α | 90° |
| β | 101.44 ± 0.02° |
| γ | 90° |
| Cell volume | 2055.8 ± 0.7 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0848 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.1255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| 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. |
1501651.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501651.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501651.cif |
| 34337 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 1501651 via cif-deposit CGI script. |
1501651.cif |
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