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Information card for entry 7154175
Preview
| Coordinates | 7154175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H15 F6 N2 O P |
|---|---|
| Calculated formula | C18 H15 F6 N2 O P |
| SMILES | [P](F)(F)(F)(F)(F)[F-].c1(ccccc1)O/C(=N\[n+]1ccccc1)c1ccccc1 |
| Title of publication | Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates. |
| Authors of publication | Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 3 |
| Pages of publication | 751 - 763 |
| a | 13.927 ± 0.003 Å |
| b | 10.771 ± 0.002 Å |
| c | 24.361 ± 0.005 Å |
| α | 90° |
| β | 93.49 ± 0.03° |
| γ | 90° |
| Cell volume | 3647.6 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7154175.cif |
| 180327 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/41. |
7154175.cif |
| 133514 | 2015-03-06 | cif/ Updating files of 7154174, 7154175, 7154176 Original log message: Adding full bibliography for 7154174--7154176.cif. |
7154175.cif |
| 125832 | 2014-10-25 | cif/ Adding structures of 7154174, 7154175, 7154176 via cif-deposit CGI script. |
7154175.cif |
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Users of the data should acknowledge the original authors of the
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