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Information card for entry 4065965
Preview
| Coordinates | 4065965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H78 B Cl5 F4 Ru2 S2 |
|---|---|
| Calculated formula | C73 H78 B Cl5 F4 Ru2 S2 |
| SMILES | [Ru]123456([Ru]789%10([S]1[C@@H](c1cc(cc(c1)c1ccccc1)c1ccccc1)CC)([S]2[C@@H](c1cc(cc(c1)c1ccccc1)c1ccccc1)CC)(=C=C=Cc1ccccc1)[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)(Cl)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.ClCCl.ClCCl.[B](F)(F)(F)[F-] |
| Title of publication | Intramolecular Edge-to-Face Aromatic π−π Interaction in Optically Active Ruthenium−Allenylidene Complexes for Enantioselective Propargylic Substitution Reactions |
| Authors of publication | Kanao, Keiichiro; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 10 |
| Pages of publication | 2381 |
| a | 11.9514 ± 0.0002 Å |
| b | 20.5456 ± 0.0004 Å |
| c | 27.5729 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6770.5 ± 0.2 Å3 |
| Cell temperature | 173.1 K |
| Ambient diffraction temperature | 173.1 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4065965.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065965.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065965.cif |
| 33739 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065965 via cif-deposit CGI script. |
4065965.cif |
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Users of the data should acknowledge the original authors of the
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