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Information card for entry 4068297
Preview
| Coordinates | 4068297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H45 N O P2 Pd |
|---|---|
| Calculated formula | C49 H45 N O P2 Pd |
| SMILES | [Pd]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](C(=O)N([C@H]2c1ccc(cc1)C)Cc1ccccc1)c1ccccc1.[Pd]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C(=O)N([C@@H]2c1ccc(cc1)C)Cc1ccccc1)c1ccccc1 |
| Title of publication | Diastereoinduction in the Synthesis of Pallada(II)pyrrolidinones: Palladacycles with Two Pd-bonded Stereogenic Carbons |
| Authors of publication | Hershberger, John C.; Day, Victor W.; Malinakova, Helena C. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 3 |
| Pages of publication | 810 |
| a | 9.4625 ± 0.0004 Å |
| b | 21.0456 ± 0.0009 Å |
| c | 19.7459 ± 0.0008 Å |
| α | 90° |
| β | 99.638 ± 0.001° |
| γ | 90° |
| Cell volume | 3876.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178572 (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 4/06/82. |
4068297.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068297.cif |
| 39630 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068296, 4068297 via cif-deposit CGI script. |
4068297.cif |
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Users of the data should acknowledge the original authors of the
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