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Information card for entry 1502563
Preview
| Coordinates | 1502563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H27 Cl4 N2 O4 P Pd |
|---|---|
| Calculated formula | C29 H27 Cl4 N2 O4 P Pd |
| SMILES | [Pd]1(c2ccc3ccccc3c2[C@@H](C)[P]1(c1ccccc1)c1ccccc1)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].C(Cl)(Cl)Cl |
| Title of publication | Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones. |
| Authors of publication | Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 21 |
| Pages of publication | 5862 - 5865 |
| a | 8.9778 ± 0.0006 Å |
| b | 14.529 ± 0.0011 Å |
| c | 12.2226 ± 0.0009 Å |
| α | 90° |
| β | 100.458 ± 0.003° |
| γ | 90° |
| Cell volume | 1567.8 ± 0.2 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0625 |
| Weighted residual factors for all reflections included in the refinement | 0.0751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1502563.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502563.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502563.cif |
| 35852 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502563 via cif-deposit CGI script. |
1502563.cif |
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