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Information card for entry 7121761
Preview
| Coordinates | 7121761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H22 F O5 P |
|---|---|
| Calculated formula | C21 H22 F O5 P |
| Title of publication | Carbene-catalyzed enal γ-carbon addition to α-ketophosphonates for enantioselective access to bioactive 2-pyranylphosphonates. |
| Authors of publication | Sun, Jun; He, Fangcheng; Wang, Zhongyao; Pan, Dingwu; Zheng, Pengcheng; Mou, Chengli; Jin, Zhichao; Chi, Yonggui Robin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 47 |
| Pages of publication | 6040 - 6043 |
| a | 8.7032 ± 0.0004 Å |
| b | 13.2565 ± 0.0006 Å |
| c | 18.0076 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2077.61 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0513 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7121761.cif |
| 228325 | 2019-11-17 | cif/ Updating files of 7121761 Original log message: Adding full bibliography for 7121761.cif. |
7121761.cif |
| 207973 | 2018-05-25 | cif/ Adding structures of 7121761 via cif-deposit CGI script. |
7121761.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.