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Information card for entry 4079455
Preview
| Coordinates | 4079455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H38 N3 O3 P Pd S |
|---|---|
| Calculated formula | C32 H38 N3 O3 P Pd S |
| SMILES | C[Pd]1([n]2ccccc2)OS(=O)(=O)c2c(cccc2)[P]21N(c1c(cc(cc1C)C)C)CCN2c1c(cc(cc1C)C)C |
| Title of publication | Controlled Acrylate Insertion Regioselectivity in Diazaphospholidine-Sulfonato Palladium(II) Complexes |
| Authors of publication | Wucher, Philipp; Roesle, Philipp; Falivene, Laura; Cavallo, Luigi; Caporaso, Lucia; Göttker-Schnetmann, Inigo; Mecking, Stefan |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 24 |
| Pages of publication | 8505 |
| a | 13.8229 ± 0.0006 Å |
| b | 13.5851 ± 0.0004 Å |
| c | 17.0924 ± 0.0007 Å |
| α | 90° |
| β | 109.842 ± 0.003° |
| γ | 90° |
| Cell volume | 3019.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.039 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4079455.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079455.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079455.cif |
| 72444 | 2013-01-21 | cif/ Adding structures of 4079451, 4079452, 4079453, 4079454, 4079455, 4079456, 4079457, 4079458, 4079459, 4079460 via cif-deposit CGI script. |
4079455.cif |
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Users of the data should acknowledge the original authors of the
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