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Information card for entry 7036666
Preview
| Coordinates | 7036666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H33 B F15 N O2 S |
|---|---|
| Calculated formula | C46 H33 B F15 N O2 S |
| SMILES | [S+](c1ccccc1)(c1ccccc1)c1ccccc1.Fc1c(c(F)c(F)c(F)c1F)[B](OC(=O)N1C(CCCC1(C)C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(c(F)c1F)F |
| Title of publication | Photo Lewis acid generators: photorelease of B(C6F5)3 and applications to catalysis. |
| Authors of publication | Khalimon, Andrey Y.; Shaw, Bryan K.; Marwitz, Adam J. V.; Piers, Warren E.; Blackwell, James M.; Parvez, Masood |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 41 |
| Pages of publication | 18196 - 18206 |
| a | 13.388 ± 0.003 Å |
| b | 20.097 ± 0.004 Å |
| c | 16.261 ± 0.003 Å |
| α | 90° |
| β | 107.65 ± 0.03° |
| γ | 90° |
| Cell volume | 4169.2 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.154 |
| Weighted residual factors for all reflections included in the refinement | 0.1806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.204 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7036666.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036666.cif |
| 171185 | 2015-12-09 | cif/ Updating files of 7036666, 7036667 Original log message: Adding full bibliography for 7036666--7036667.cif. |
7036666.cif |
| 158411 | 2015-09-26 | cif/ Adding structures of 7036666, 7036667 via cif-deposit CGI script. |
7036666.cif |
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