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Information card for entry 7151999
Preview
| Coordinates | 7151999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H19 O6 P |
|---|---|
| Calculated formula | C15 H19 O6 P |
| SMILES | P(=O)(OCC)(OCC)[C@@](O)(c1ccccc1)[C@@H]1OC(=O)C=C1.P(=O)(OCC)(OCC)[C@](O)(c1ccccc1)[C@H]1OC(=O)C=C1 |
| Title of publication | Highly diastereoselective vinylogous Mukaiyama aldol reaction of α-keto phosphonates with 2-(trimethylsilyloxy)furan catalyzed by Cu(OTf)(2). |
| Authors of publication | Yu, Jipan; Zhao, Xiaona; Miao, Zhiwei; Chen, Ruyu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 19 |
| Pages of publication | 6721 - 6726 |
| a | 7.779 ± 0.0016 Å |
| b | 8.9198 ± 0.0018 Å |
| c | 12.746 ± 0.003 Å |
| α | 99.79 ± 0.03° |
| β | 105.99 ± 0.03° |
| γ | 107.38 ± 0.03° |
| Cell volume | 780.1 ± 0.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151999.cif |
| 180305 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/19. |
7151999.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151999.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151999.cif |
| 28162 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7151999 via cif-deposit CGI script. |
7151999.cif |
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