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Information card for entry 7019612
Preview
| Coordinates | 7019612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H28 Fe O4 |
|---|---|
| Calculated formula | C30 H28 Fe O4 |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=C(\c1ccccc1)c1cc(OC(=O)C)c(OC(=O)C)cc1)\CC)[cH]1[cH]8[cH]7[cH]6[cH]51 |
| Title of publication | Ferrocenyl catechols: synthesis, oxidation chemistry and anti-proliferative effects on MDA-MB-231 breast cancer cells. |
| Authors of publication | Tan, Yong Leng Kelvin; Pigeon, Pascal; Top, Siden; Labbé, Eric; Buriez, Olivier; Hillard, Elizabeth A.; Vessières, Anne; Amatore, Christian; Leong, Weng Kee; Jaouen, Gérard |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 25 |
| Pages of publication | 7537 - 7549 |
| a | 12.1301 ± 0.0004 Å |
| b | 17.0739 ± 0.0005 Å |
| c | 12.8231 ± 0.0003 Å |
| α | 90° |
| β | 112.277 ± 0.001° |
| γ | 90° |
| Cell volume | 2457.55 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179900 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/96. |
7019612.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019612.cif |
| 62920 | 2012-07-09 | cif/ Adding structures of 7019609, 7019610, 7019611, 7019612 via cif-deposit CGI script. |
7019612.cif |
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Users of the data should acknowledge the original authors of the
structural data.