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Information card for entry 1551357
Preview
| Coordinates | 1551357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H32 F12 Mn N6 Sb2 |
|---|---|
| Calculated formula | C24 H32 F12 Mn N6 Sb2 |
| SMILES | c1cccc2[n]1[Mn]13([n]4ccccc4C[N]43[C@H]([C@@H]3CCC[N]13C2)CCC4)([N]#CC)[N]#CC.[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F |
| Title of publication | Chemoselective methylene oxidation in aromatic molecules |
| Authors of publication | Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White |
| Journal of publication | Nature Chemistry |
| Year of publication | 2019 |
| Journal volume | 11 |
| Pages of publication | 213 - 221 |
| a | 10.5506 ± 0.0004 Å |
| b | 10.5506 ± 0.0004 Å |
| c | 25.221 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2431.35 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0214 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.0423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215875 (current) | 2019-06-12 | cif/ Adding structures of 1551357 via cif-deposit CGI script. |
1551357.cif |
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