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Information card for entry 4515758
Preview
| Coordinates | 4515758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N O2 P |
|---|---|
| Calculated formula | C20 H18 N O2 P |
| SMILES | P(=O)(C(=C\c1cccnc1)/CO)(c1ccccc1)c1ccccc1 |
| Title of publication | Z-Selective Addition of Diaryl Phosphine Oxides to Alkynes via Photoredox Catalysis |
| Authors of publication | Wang, Huamin; Li, Yongli; Tang, Zilu; Wang, Shengchun; Zhang, Heng; Cong, Hengjiang; Lei, Aiwen |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 11 |
| Pages of publication | 10599 |
| a | 9.1903 ± 0.0002 Å |
| b | 10.9348 ± 0.0003 Å |
| c | 17.0654 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1714.97 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0671 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.1691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225883 (current) | 2019-11-10 | cif/ Adding structures of 4515758 via cif-deposit CGI script. |
4515758.cif |
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