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Information card for entry 1548886
Preview
| Coordinates | 1548886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H24 Cl F3 Fe K N2 O9 S |
|---|---|
| Calculated formula | C23 H24 Cl F3 Fe K N2 O9 S |
| SMILES | c12c3cccc1C=[N]1CC[N]4=Cc5cccc6c5[O]5[Fe]14(Cl)[O]2[K]1245([O]3CC[O]1CC[O]2CC[O]64)OS(=O)(=O)C(F)(F)F |
| Title of publication | Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. |
| Authors of publication | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 2567 - 2574 |
| a | 11.253 ± 0.0013 Å |
| b | 17.652 ± 0.002 Å |
| c | 13.5982 ± 0.0015 Å |
| α | 90° |
| β | 90.075 ± 0.002° |
| γ | 90° |
| Cell volume | 2701.1 ± 0.5 Å3 |
| Cell temperature | 128 ± 2 K |
| Ambient diffraction temperature | 128 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.0464 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228800 (current) | 2019-11-17 | cif/ Updating files of 1548883, 1548884, 1548885, 1548886, 1548887 Original log message: Adding full bibliography for 1548883--1548887.cif. |
1548886.cif |
| 206283 | 2018-02-08 | cif/ Adding structures of 1548883, 1548884, 1548885, 1548886, 1548887 via cif-deposit CGI script. |
1548886.cif |
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Users of the data should acknowledge the original authors of the
structural data.