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Information card for entry 4038584
Preview
| Coordinates | 4038584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H45 O3 P |
|---|---|
| Calculated formula | C26 H45 O3 P |
| SMILES | P(=O)([C@@H]1[C@@](O)(CC[C@H](C1)C(=C)C)C)([C@@H]1[C@@](O)(CC[C@H](C1)C(=C)C)C)C1CCCCC1 |
| Title of publication | Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles. |
| Authors of publication | Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 11.0048 ± 0.0002 Å |
| b | 11.0048 ± 0.0002 Å |
| c | 17.676 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1853.87 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0269 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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The link is: https://www.crystallography.net/4038584.html
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Users of the data should acknowledge the original authors of the
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