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Information card for entry 1553823
Preview
| Coordinates | 1553823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 F2 O3 P |
|---|---|
| Calculated formula | C24 H21 F2 O3 P |
| SMILES | c1(ccccc1)P(=O)(c1ccccc1)/C(=C/C(F)(F)C(=O)OCC)c1ccccc1 |
| Title of publication | Phosphinodifluoroalkylation of alkynes using P(O)H compounds and ethyl difluoroiodoacetate |
| Authors of publication | Zhang, Pengbo; Ying, Jianxi; Tang, Guo; Zhao, Yufen |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 10 |
| Pages of publication | 2054 |
| a | 25.317 ± 0.004 Å |
| b | 8.8649 ± 0.0015 Å |
| c | 22.042 ± 0.004 Å |
| α | 90° |
| β | 120.571 ± 0.002° |
| γ | 90° |
| Cell volume | 4259.3 ± 1.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1296 |
| Weighted residual factors for all reflections included in the refinement | 0.1347 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0601 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236068 (current) | 2019-11-24 | cif/ Adding structures of 1553823 via cif-deposit CGI script. |
1553823.cif |
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Users of the data should acknowledge the original authors of the
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