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Information card for entry 1520263
Preview
| Coordinates | 1520263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Rhodium complex |
|---|---|
| Chemical name | 12a |
| Formula | C16 H18 N4 O2 S |
| Calculated formula | C16 H18 N4 O2 S |
| SMILES | S(=O)(=O)(N[C@@H]([C@H](N=N#N)c1ccccc1)C)c1ccc(cc1)C |
| Title of publication | Rhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones |
| Authors of publication | Deshpande, Sudhindra H.; Shende, Vaishali S.; Shingote, Savita K.; Chakravarty, Debamitra; Puranik, Vedavati G.; Chaudhari, Raghunath V.; Kelkar, Ashutosh A. |
| Journal of publication | RSC Advances |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 64 |
| Pages of publication | 51722 - 51729 |
| a | 8.2251 ± 0.0001 Å |
| b | 10.3695 ± 0.0001 Å |
| c | 9.9358 ± 0.0001 Å |
| α | 90° |
| β | 94.251 ± 0.0007° |
| γ | 90° |
| Cell volume | 845.095 ± 0.016 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0297 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1520263.cif |
| 176428 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
1520263.cif |
| 137889 | 2015-06-04 | cif/ Adding structures of 1520263 via cif-deposit CGI script. |
1520263.cif |
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