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Information card for entry 7155955
Preview
| Coordinates | 7155955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H17 O3 P |
|---|---|
| Calculated formula | C22 H17 O3 P |
| Title of publication | Regioselective Phosphinylation of Coumarins under Green LED Irradiation and Mechanism Study |
| Authors of publication | Li, Qingrui; Zhao, Xiuli; Li, Yabo; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 8.6045 ± 0.0003 Å |
| b | 21.7424 ± 0.0007 Å |
| c | 10.3736 ± 0.0004 Å |
| α | 90° |
| β | 109.45 ± 0.004° |
| γ | 90° |
| Cell volume | 1829.97 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0531 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202470 (current) | 2017-11-01 | cif/ Adding structures of 7155955 via cif-deposit CGI script. |
7155955.cif |
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