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Information card for entry 4075763
Preview
| Coordinates | 4075763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H60 Cl2 Co2 N2 O2 Pd |
|---|---|
| Calculated formula | C74 H60 Cl2 Co2 N2 O2 Pd |
| SMILES | [C]12(=[C]3([C]4(=[C]1(c1ccccc1)[Co]1567234[cH]2[cH]1[cH]5[cH]6[c]72C1=[N]([C@H](CO1)C)[Pd]([N]1[C@@H](C)COC=1[c]12[cH]3[cH]4[cH]5[cH]1[Co]1672345[C]2(=[C]1([C]6(=[C]72c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis oftert-Leucine-Derived Cobalt Oxazoline Palladacycles. Reversal of Palladation Diastereoselectivity and Application to the Asymmetric Rearrangement ofN-Aryl Trifluoroacetimidates |
| Authors of publication | Prasad, R. Shyam; Anderson, Carolyn E.; Richards, Christopher J.; Overman, Larry E. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 1 |
| Pages of publication | 77 |
| a | 17.3354 ± 0.0003 Å |
| b | 17.6029 ± 0.0004 Å |
| c | 19.3402 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5901.73 ± 0.19 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0753 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178646 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/57. |
4075763.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075763.cif |
| 50655 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075763 via cif-deposit CGI script. |
4075763.cif |
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