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Information card for entry 7125403
Preview
| Coordinates | 7125403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1,2-oxaphosphinine 2-oxide |
|---|---|
| Chemical name | rel-(R,R,R)-2-ethoxy-3-(4-bromophenyl)-4,6-diphenyl-3,4-dihydro-1,2-oxaphosphinine 2-oxide |
| Formula | C24 H22 Br O3 P |
| Calculated formula | C24 H22 Br O3 P |
| Title of publication | Transition metal-free access to 3,4-dihydro-1,2-oxaphosphinine-2-oxides from phosphonochloridates and chalcones through tandem Michael addition and nucleophilic substitution. |
| Authors of publication | Fu, Zhicheng; Sun, Simin; Yang, Anjian; Sun, Fang; Xu, Jiaxi |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2019 |
| Journal volume | 55 |
| Journal issue | 87 |
| Pages of publication | 13124 - 13127 |
| a | 11.6694 ± 0.0003 Å |
| b | 10.1505 ± 0.0003 Å |
| c | 17.4217 ± 0.0005 Å |
| α | 90° |
| β | 96.448 ± 0.003° |
| γ | 90° |
| Cell volume | 2050.55 ± 0.1 Å3 |
| Cell temperature | 110.15 ± 0.1 K |
| Ambient diffraction temperature | 110.15 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125403.cif |
| 237857 | 2019-11-24 | cif/ Adding structures of 7125403, 7125404 via cif-deposit CGI script. |
7125403.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.