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Information card for entry 1518492
Preview
| Coordinates | 1518492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H22 B Cl3 F4 N2 O2 |
|---|---|
| Calculated formula | C32 H22 B Cl3 F4 N2 O2 |
| SMILES | [B](F)(F)(F)[F-].[n+]1(N2C(=O)c3ccccc3C2=O)c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl |
| Title of publication | N-aminopyridinium salts as precursors for N-centered radicals - direct amidation of arenes and heteroarenes. |
| Authors of publication | Greulich, Tobias W.; Daniliuc, Constantin G.; Studer, Armido |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 2 |
| Pages of publication | 254 - 257 |
| a | 30.8526 ± 0.0005 Å |
| b | 11.997 ± 0.0002 Å |
| c | 18.7562 ± 0.0003 Å |
| α | 90° |
| β | 113.744 ± 0.001° |
| γ | 90° |
| Cell volume | 6354.75 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1259 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518492.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518492.cif |
| 130822 | 2015-02-04 | cif/ Updating files of 1518492, 1518493, 1518494 Original log message: Adding full bibliography for 1518492--1518494.cif. |
1518492.cif |
| 129271 | 2014-12-30 | cif/ Adding structures of 1518492, 1518493, 1518494 via cif-deposit CGI script. |
1518492.cif |
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