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Information card for entry 4066215
Preview
| Coordinates | 4066215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H44 Cl3 N O4 P2 Pd |
|---|---|
| Calculated formula | C38 H44 Cl3 N O4 P2 Pd |
| SMILES | [Pd]12([P@](CC)([C@H](C[P]1(c1ccccc1)c1ccccc1)C)c1ccccc1)[N]([C@@H](c1c2ccc2ccccc12)C)(C)C.Cl(=O)(=O)(=O)[O-].ClCCl |
| Title of publication | Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle |
| Authors of publication | Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 15 |
| Pages of publication | 3374 |
| a | 12.5387 ± 0.0008 Å |
| b | 16.3372 ± 0.001 Å |
| c | 18.7069 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3832.1 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0504 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178554 (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 4/06/62. |
4066215.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066215.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066215.cif |
| 33831 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066214, 4066215, 4066216, 4066217, 4066218, 4066219, 4066220, 4066221, 4066222 via cif-deposit CGI script. |
4066215.cif |
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