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Information card for entry 1552137
Preview
| Coordinates | 1552137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22.5 H19 Au Cl3 O2 P |
|---|---|
| Calculated formula | C22.5 H19 Au Cl3 O2 P |
| Title of publication | Oxidant speciation and anionic ligand effects in the gold-catalyzed oxidative coupling of arenes and alkynes |
| Authors of publication | Hofer, Manuel; de Haro, Teresa; Gómez-Bengoa, Enrique; Genoux, Alexandre; Nevado, Cristina |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 12.59949 ± 0.00018 Å |
| b | 10.669 ± 0.00013 Å |
| c | 17.9124 ± 0.0003 Å |
| α | 90° |
| β | 108.335 ± 0.0015° |
| γ | 90° |
| Cell volume | 2285.62 ± 0.06 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0281 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0518 |
| Weighted residual factors for all reflections included in the refinement | 0.0536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217336 (current) | 2019-08-01 | cif/ Adding structures of 1552137 via cif-deposit CGI script. |
1552137.cif |
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