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Information card for entry 1503241
Preview
| Coordinates | 1503241.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (R,R)-1,2-Bis(tert-butylmethylphosphino)benzene(1,5-cyclooctadiene)rhodium(I) hexafluoroantiomonate |
|---|---|
| Formula | C52 H88 F12 O2 P4 Rh2 Sb2 |
| Calculated formula | C52 H88 F12 O2 P4 Rh2 Sb2 |
| SMILES | [Sb](F)(F)(F)(F)(F)[F-].[Rh]1234([P](c5ccccc5[P]1(C(C)(C)C)C)(C(C)(C)C)C)[CH]1=[CH]3CC[CH]2=[CH]4CC1.O(C(=O)C)CC |
| Title of publication | Enantiopure 1,2-bis(tert-butylmethylphosphino)benzene as a highly efficient ligand in rhodium-catalyzed asymmetric hydrogenation. |
| Authors of publication | Tamura, Ken; Sugiya, Masashi; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 19 |
| Pages of publication | 4400 - 4403 |
| a | 9.3013 ± 0.0008 Å |
| b | 17.9217 ± 0.0015 Å |
| c | 18.9114 ± 0.0016 Å |
| α | 90° |
| β | 101.888 ± 0.001° |
| γ | 90° |
| Cell volume | 3084.8 ± 0.5 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0585 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.792 |
| 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. |
1503241.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503241.cif |
| 37121 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503241 via cif-deposit CGI script. |
1503241.cif |
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