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Information card for entry 7151488
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| Coordinates | 7151488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (h3-Allyl)[(aS)-2-[4,4-dimethyl-oxazol-2-yl]-2^[$B!G^[(B-diphenylphosphino- 1,1^[$B!G^[(B-binaphthyl]palladium(II) hexafluoroantimonate |
|---|---|
| Formula | C37 H30 F6 N O P Pd Sb |
| Calculated formula | C40 H35 F6 N O P Pd Sb |
| SMILES | [Sb](F)(F)(F)(F)(F)[F-].[Pd]123([P](c4c(c5ccccc5cc4)c4c(ccc5ccccc45)C4OCC([N]1=4)(C)C)(c1ccccc1)c1ccccc1)[CH2]=[CH]2C3 |
| Title of publication | Highly enantioselective alkaloid synthesis via ene-type cyclizations catalyzed by cationic chiral palladium(ii) complexes of PN-ligands with an achiral oxazoline unitElectronic supplementary information (ESI) available: spectral data of substrates, cyclized products and PN-ligands and crystallographic data of Pd complexes. See http://www.rsc.org/suppdata/ob/b3/b305865b/ |
| Authors of publication | Hatano, Manabu; Mikami, Koichi |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2003 |
| Journal volume | 1 |
| Journal issue | 22 |
| Pages of publication | 3871 |
| a | 17.6824 ± 0.0003 Å |
| b | 17.9641 ± 0.0004 Å |
| c | 11.6546 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3702.07 ± 0.14 Å3 |
| Cell temperature | 253 ± 2 K |
| Ambient diffraction temperature | 253 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.038 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7151488.cif |
| 180300 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/14. |
7151488.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151488.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151488.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151488.cif |
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