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Information card for entry 1517973
Preview
| Coordinates | 1517973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H48 Cl2 O4 P2 Rh2 |
|---|---|
| Calculated formula | C41 H48 Cl2 O4 P2 Rh2 |
| SMILES | [Rh]123([P@]4(c5ccccc5O[C@H]4C[CH]1=[CH]2c1ccccc1)C(C)(C)C)O[Rh]12([P@@]4([C@@H](Oc5c4cccc5)C[CH]2=[CH]1c1ccccc1)C(C)(C)C)O3.ClCCl |
| Title of publication | Development of New P-Chiral P,π-Dihydrobenzooxaphosphole Hybrid Ligands for Asymmetric Catalysis. |
| Authors of publication | Sieber, Joshua D.; Chennamadhavuni, Divya; Fandrick, Keith R.; Qu, Bo; Han, Zhengxu S.; Savoie, Jolaine; Ma, Shengli; Samankumara, Lalith P.; Grinberg, Nelu; Lee, Heewon; Song, Jinhua J.; Senanayake, Chris H. |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 20 |
| Pages of publication | 5494 - 5497 |
| a | 10.7291 ± 0.0002 Å |
| b | 14.4847 ± 0.0003 Å |
| c | 26.2864 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4085.11 ± 0.14 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0249 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9677 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517973.cif |
| 176729 | 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. |
1517973.cif |
| 127248 | 2014-11-12 | cif/ Updating files of 1517973 Original log message: Adding full bibliography for 1517973.cif. |
1517973.cif |
| 125251 | 2014-10-10 | cif/ Adding structures of 1517973 via cif-deposit CGI script. |
1517973.cif |
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