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Information card for entry 4063645
Preview
| Coordinates | 4063645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H40 Co O6 S |
|---|---|
| Calculated formula | C34 H40 Co O6 S |
| SMILES | [CH]1(=[C]2([CH]3=[CH](C(=O)OCC)[Co]4567123[cH]1[cH]4[cH]5[cH]6[cH]71)S(=O)(=O)c1ccccc1)C(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C |
| Title of publication | Addition of Dissimilar Carbenes across an Unsymmetrically Substituted Alkyne: Regio- and Stereoselective Synthesis of Trisubstituted 1,3-Dienes |
| Authors of publication | O’Connor, Joseph M.; Chen, Ming-Chou; Holland, Ryan L.; Rheingold, Arnold L. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 3 |
| Pages of publication | 369 |
| a | 11.305 ± 0.002 Å |
| b | 14.764 ± 0.003 Å |
| c | 22.592 ± 0.003 Å |
| α | 90° |
| β | 97.172 ± 0.013° |
| γ | 90° |
| Cell volume | 3741.3 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1571 |
| Residual factor for significantly intense reflections | 0.076 |
| Weighted residual factors for significantly intense reflections | 0.1731 |
| Weighted residual factors for all reflections included in the refinement | 0.2134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4063645.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063645.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063645.cif |
| 32636 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063644, 4063645, 4063646 via cif-deposit CGI script. |
4063645.cif |
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Users of the data should acknowledge the original authors of the
structural data.