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Information card for entry 4036670
Preview
| Coordinates | 4036670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H37 Au N4 O4 |
|---|---|
| Calculated formula | C31 H37 Au N4 O4 |
| Title of publication | A Au(I)-Precatalyst with a Cyclopropenium Counterion: An Unusual Ion Pair. |
| Authors of publication | Mir, Roya; Dudding, Travis |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 6 |
| Pages of publication | 2675 - 2679 |
| a | 17.7379 ± 0.0005 Å |
| b | 9.4418 ± 0.0003 Å |
| c | 18.8452 ± 0.0006 Å |
| α | 90° |
| β | 106.138 ± 0.0015° |
| γ | 90° |
| Cell volume | 3031.78 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0429 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235055 (current) | 2019-11-23 | cif/ Adding structures of 4036670 via cif-deposit CGI script. |
4036670.cif |
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Users of the data should acknowledge the original authors of the
structural data.