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Information card for entry 1502209
Preview
| Coordinates | 1502209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H56 Cl4 N2 O4 Rh2 S2 |
|---|---|
| Calculated formula | C43 H56 Cl4 N2 O4 Rh2 S2 |
| SMILES | [Rh]123([Cl][Rh]45([S@](=O)(N[C@@H](c6ccccc6)[CH]4=[CH]5c4ccccc4)C(C)(C)C)[Cl]2)[S@](=O)(N[C@H]([CH]1=[CH]3c1ccccc1)c1ccccc1)C(C)(C)C.ClCCl.O1CCOCC1 |
| Title of publication | Simple N-sulfinyl-based chiral sulfur-olefin ligands for rhodium-catalyzed asymmetric 1,4-additions. |
| Authors of publication | Feng, Xiangqing; Wang, Yazhou; Wei, Beibei; Yang, Jing; Du, Haifeng |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 3300 - 3303 |
| a | 15.457 ± 0.002 Å |
| b | 15.457 ± 0.002 Å |
| c | 42.11 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8713 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.166 |
| Weighted residual factors for all reflections included in the refinement | 0.1702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1502209.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502209.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502209.cif |
| 35518 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502209 via cif-deposit CGI script. |
1502209.cif |
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