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Information card for entry 1560024
Preview
| Coordinates | 1560024.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H34 F3 N2 O3 P S |
|---|---|
| Calculated formula | C36 H34 F3 N2 O3 P S |
| SMILES | [P+]1(c2ccccc2)(c2ccccc2)c2c(ccc(N(C)C)c2)C(c2ccc(N(C)C)cc2)c2c1cccc2.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity |
| Authors of publication | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 11 |
| Pages of publication | 3929 - 3936 |
| a | 11.0775 ± 0.0009 Å |
| b | 19.2817 ± 0.0016 Å |
| c | 15.3042 ± 0.0013 Å |
| α | 90° |
| β | 104 ± 0.003° |
| γ | 90° |
| Cell volume | 3171.8 ± 0.5 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560024.cif |
| 263702 | 2021-04-05 | cif/ Updating files of 1560018, 1560019, 1560020, 1560021, 1560022, 1560023, 1560024, 1560025, 1560026, 1560027, 1560028, 1560029, 1560030 Original log message: Adding full bibliography for 1560018--1560030.cif. |
1560024.cif |
| 260898 | 2021-01-12 | cif/ Adding structures of 1560018, 1560019, 1560020, 1560021, 1560022, 1560023, 1560024, 1560025, 1560026, 1560027, 1560028, 1560029, 1560030 via cif-deposit CGI script. |
1560024.cif |
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Users of the data should acknowledge the original authors of the
structural data.