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Information card for entry 1549479
Preview
| Coordinates | 1549479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H33 Cl2 F7 N O Sb |
|---|---|
| Calculated formula | C50 H33 Cl2 F7 N O Sb |
| SMILES | [Sb](F)(F)(F)(F)([F-])F.ClCCl.Fc1cc2C(=C(Oc3[n+]4c(c(c(c1)c23)c1ccccc1)c1ccccc1c(c4c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Annulation cascade of arylnitriles with alkynes to stable delocalized PAH carbocations via intramolecular rhodium migration |
| Authors of publication | Yin, Jiangliang; Zhou, Fulin; Zhu, Lei; Yang, Mufan; Lan, Yu; You, Jingsong |
| Journal of publication | Chemical Science |
| Year of publication | 2018 |
| a | 28.6364 ± 0.0008 Å |
| b | 28.6364 ± 0.0008 Å |
| c | 29.7717 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 21143.2 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1073 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1712 |
| Weighted residual factors for all reflections included in the refinement | 0.1921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208010 (current) | 2018-05-29 | cif/ Adding structures of 1549479, 1549480 via cif-deposit CGI script. |
1549479.cif |
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