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Information card for entry 4121167
Preview
| Coordinates | 4121167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H37 O4 P2 Rh |
|---|---|
| Calculated formula | C45 H37 O4 P2 Rh |
| SMILES | c12c(cccc1)c1c(cccc1)[P]([Rh]1([O]=C(c3c(OC)cccc3OC)O1)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Methoxy-Directed Aryl-to-Aryl 1,3-Rhodium Migration |
| Authors of publication | Jing Zhang; Jun-Feng Liu; Angel Ugrinov; Anthony F. X. Pillai; Zhong-Ming Sun; Pinjing Zhao |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 17270 - 17273 |
| a | 13.498 ± 0.005 Å |
| b | 26.851 ± 0.01 Å |
| c | 14.881 ± 0.005 Å |
| α | 90° |
| β | 101.799 ± 0.007° |
| γ | 90° |
| Cell volume | 5279 ± 3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0889 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4121167.cif |
| 179013 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/11. |
4121167.cif |
| 107344 | 2014-03-18 | cif/ Adding structures of 4121167 via cif-deposit CGI script. |
4121167.cif |
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Users of the data should acknowledge the original authors of the
structural data.