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Information card for entry 7223250
Preview
| Coordinates | 7223250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,3-Bis(1-methyl-2-diphenylphosphino-3-methylimidazolium)benzene triflate |
|---|---|
| Formula | C40 H34 F6 N4 O6 P2 S2 |
| Calculated formula | C40 H34 F6 N4 O6 P2 S2 |
| SMILES | P(c1ccccc1)(c1ccccc1)c1n(cc[n+]1c1cccc(n2c(P(c3ccccc3)c3ccccc3)[n+](cc2)C)c1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Co-catalysis of a bi-functional ligand containing phosphine and Lewis acidic phosphonium for hydroformylation‒acetalization of olefins |
| Authors of publication | Li, Yong-Qi; Wang, Peng; Liu, Huan; Lu, Yong; Zhao, Xiao-Li; Liu, Ye |
| Journal of publication | Green Chem. |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1798 |
| a | 14.0858 ± 0.0011 Å |
| b | 14.4866 ± 0.0011 Å |
| c | 15.7112 ± 0.0012 Å |
| α | 67.615 ± 0.002° |
| β | 78.55 ± 0.002° |
| γ | 62.44 ± 0.002° |
| Cell volume | 2627 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0763 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1803 |
| Weighted residual factors for all reflections included in the refinement | 0.1903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181750 (current) | 2016-04-05 | cif/ Updating files of 7223249, 7223250, 7223251 Original log message: Adding full bibliography for 7223249--7223251.cif. |
7223250.cif |
| 170303 | 2015-11-14 | cif/ Adding structures of 7223249, 7223250, 7223251 via cif-deposit CGI script. |
7223250.cif |
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