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Information card for entry 4066015
Preview
| Coordinates | 4066015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H54 Cu I N4 O2 P2 |
|---|---|
| Calculated formula | C62 H54 Cu I N4 O2 P2 |
| SMILES | I[Cu]([P@@]1(OC([C@H]2N1CCC2)(c1ccccc1)c1ccccc1)N1c2ccccc2C=Cc2ccccc12)[P@@]1(OC([C@H]2N1CCC2)(c1ccccc1)c1ccccc1)N1c2ccccc2C=Cc2ccccc12 |
| Title of publication | Hemilabile P-Alkene Ligands in Chiral Rhodium and Copper Complexes: Catalytic Asymmetric 1,4 Additions to Enones. 2†,(1) |
| Authors of publication | Drinkel, Emma; Briceño, Alexander; Dorta, Reto; Dorta, Romano |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 11 |
| Pages of publication | 2503 |
| a | 12.04 ± 0.005 Å |
| b | 18.12 ± 0.006 Å |
| c | 13.188 ± 0.005 Å |
| α | 90° |
| β | 112.916 ± 0.009° |
| γ | 90° |
| Cell volume | 2650.1 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0894 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178504 (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 4/06/60. |
4066015.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066015.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066015.cif |
| 33754 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066015 via cif-deposit CGI script. |
4066015.cif |
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Users of the data should acknowledge the original authors of the
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