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Information card for entry 4063484
Preview
| Coordinates | 4063484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H47 Cl11 O5 P2 Pd |
|---|---|
| Calculated formula | C53 H47 Cl11 O5 P2 Pd |
| SMILES | [Pd]1(Cl)(Cl)[P]2(Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3C)OC([C@@H]1OC(O[C@H]1C(O2)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl |
| Title of publication | Asymmetric Hydroformylation Using Taddol-Based Chiral Phosphine−Phosphite Ligands |
| Authors of publication | Robert, Tobias; Abiri, Zohar; Wassenaar, Jeroen; Sandee, Albertus J.; Romanski, Steffen; Neudörfl, Jörg-Martin; Schmalz, Hans-Günther; Reek, Joost N. H. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 478 - 483 |
| a | 11.1298 ± 0.0004 Å |
| b | 18.3889 ± 0.0007 Å |
| c | 27.0464 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5535.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0391 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178529 (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 4/06/34. |
4063484.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063484.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063484.cif |
| 21520 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 4063484 via cif-deposit CGI script. |
4063484.cif |
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