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Information card for entry 1560019
Preview
| Coordinates | 1560019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H30 N O P |
|---|---|
| Calculated formula | C33 H30 N O P |
| SMILES | P(c1c(cccc1)C(O)(c1ccc(N(C)C)cc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 8.2229 ± 0.0005 Å |
| b | 12.4346 ± 0.0006 Å |
| c | 13.1943 ± 0.0007 Å |
| α | 108.632 ± 0.002° |
| β | 96.25 ± 0.002° |
| γ | 93.485 ± 0.002° |
| Cell volume | 1264.24 ± 0.12 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
1560019.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. |
1560019.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. |
1560019.cif |
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Users of the data should acknowledge the original authors of the
structural data.