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Information card for entry 4121627
Preview
| Coordinates | 4121627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H20 P2 S2 |
|---|---|
| Calculated formula | C24 H20 P2 S2 |
| Title of publication | Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones. |
| Authors of publication | Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 13 |
| Pages of publication | 4865 - 4868 |
| a | 9.5656 ± 0.0005 Å |
| b | 15.6505 ± 0.0009 Å |
| c | 14.0777 ± 0.0008 Å |
| α | 90° |
| β | 96.8115 ± 0.0015° |
| γ | 90° |
| Cell volume | 2092.6 ± 0.2 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0784 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| 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. |
4121627.cif |
| 179018 | 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 4/12/16. |
4121627.cif |
| 109109 | 2014-04-08 | cif/ Adding structures of 4121627 via cif-deposit CGI script. |
4121627.cif |
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Users of the data should acknowledge the original authors of the
structural data.