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Information card for entry 4067308
Preview
| Coordinates | 4067308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H44 Cl N O5 P2 Pd |
|---|---|
| Calculated formula | C43 H44 Cl N O5 P2 Pd |
| SMILES | [Pd]12(c3ccc4c(cccc4)c3[C@@H](C)[N]1(C)C)[P](c1ccccc1)(c1ccccc1)[C@H](C[P]2(c1ccccc1)c1ccccc1)CC(=O)C.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Palladium Template Promoted Asymmetric Synthesis of 1,2-Diphosphines by Hydrophosphination of Functionalized Allenes |
| Authors of publication | Huang, Yinhua; Pullarkat, Sumod A.; Yuan, Mingjun; Ding, Yi; Li, Yongxin; Leung, Pak-Hing |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 3 |
| Pages of publication | 536 |
| a | 11.9241 ± 0.0002 Å |
| b | 15.8526 ± 0.0003 Å |
| c | 21.0733 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3983.44 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0378 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178564 (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 4/06/73. |
4067308.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067308.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067308.cif |
| 34154 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067307, 4067308, 4067309, 4067310 via cif-deposit CGI script. |
4067308.cif |
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