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Information card for entry 1554764
Preview
| Coordinates | 1554764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H20 B F4 N O |
|---|---|
| Calculated formula | C25 H20 B F4 N O |
| SMILES | [B](F)(F)(F)[F-].C[n+]1c(c2ccccc2)c(c2ccccc2)c2c(c1C)oc1ccccc21 |
| Title of publication | Rhodium(III)-catalyzed vinylic C-H activation: a direct route toward pyridinium salts. |
| Authors of publication | Luo, Ching-Zong; Jayakumar, Jayachandran; Gandeepan, Parthasarathy; Wu, Yun-Ching; Cheng, Chien-Hong |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 4 |
| Pages of publication | 924 - 927 |
| a | 10.72 ± 0.003 Å |
| b | 18.331 ± 0.004 Å |
| c | 12.174 ± 0.003 Å |
| α | 90° |
| β | 110.527 ± 0.006° |
| γ | 90° |
| Cell volume | 2240.4 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.098 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.2044 |
| Weighted residual factors for all reflections included in the refinement | 0.2217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238106 (current) | 2019-11-24 | cif/ Adding structures of 1554764 via cif-deposit CGI script. |
1554764.cif |
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Users of the data should acknowledge the original authors of the
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