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Information card for entry 4064700
Preview
| Coordinates | 4064700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H30 Co N O |
|---|---|
| Calculated formula | C42 H30 Co N O |
| SMILES | [Co]1234567([c]8([cH]1[cH]2[cH]3[cH]48)/C=C1/C(=O)Nc2c1cccc2)[C]1(=[C]5([C]6(=[C]71c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Size Does Matter. Sterically Demanding Metallocene-Substituted 3-Methylidene-Oxindoles Exhibit Poor Kinase Inhibitory Action |
| Authors of publication | Spencer, John; Amin, Jahangir; Coxhead, Peter; McGeehan, John; Richards, Christopher J.; Tizzard, Graham J.; Coles, Simon J.; Bingham, John P.; Hartley, John A.; Feng, Li; Meggers, Eric; Guille, Matthew |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 11 |
| Pages of publication | 3177 |
| a | 11.3386 ± 0.0002 Å |
| b | 26.6223 ± 0.0004 Å |
| c | 21.0764 ± 0.0003 Å |
| α | 90° |
| β | 104.358 ± 0.001° |
| γ | 90° |
| Cell volume | 6163.39 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0946 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178541 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/47. |
4064700.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064700.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064700.cif |
| 33009 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064700, 4064701 via cif-deposit CGI script. |
4064700.cif |
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Users of the data should acknowledge the original authors of the
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