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Information card for entry 4105351
Preview
| Coordinates | 4105351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H64 N4 O20 Rh2 |
|---|---|
| Calculated formula | C60 H64 N4 O20 Rh2 |
| SMILES | [Rh]1234([Rh]([O]=C(O1)[C@@H](N1C(=O)c5ccccc5C1=O)C(C)C)(OC(=[O]2)[C@@H](N1C(=O)c2ccccc2C1=O)C(C)C)([O]=C(O3)[C@@H](N1C(=O)c2ccccc2C1=O)C(C)C)(OC(=[O]4)[C@@H](N1C(=O)c2ccccc2C1=O)C(C)C)[O]=C(OCC)C)[O]=C(OCC)C |
| Title of publication | Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids |
| Authors of publication | Vincent N. G. Lindsay; Wei Lin; André B. Charette |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 16383 - 16385 |
| a | 16.0549 ± 0.0019 Å |
| b | 21.667 ± 0.003 Å |
| c | 18.052 ± 0.002 Å |
| α | 90° |
| β | 92.792 ± 0.003° |
| γ | 90° |
| Cell volume | 6272.1 ± 1.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 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 | 0.0644 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1352 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4105351.cif |
| 178799 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53. |
4105351.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105351.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105351.cif |
| 30546 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105351 via cif-deposit CGI script. |
4105351.cif |
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