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Information card for entry 4123832
Preview
| Coordinates | 4123832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | AMS2069 |
|---|---|
| Chemical name | AMS2069_0m |
| Formula | C61 H82 Cu2 F4 N4 O3 S |
| Calculated formula | C61 H82 Cu2 F4 N4 O3 S |
| Title of publication | Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes. |
| Authors of publication | Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 24 |
| Pages of publication | 7747 - 7753 |
| a | 10.375 ± 0.0005 Å |
| b | 17.0501 ± 0.0009 Å |
| c | 17.5973 ± 0.0008 Å |
| α | 80.046 ± 0.003° |
| β | 86.037 ± 0.003° |
| γ | 79.985 ± 0.003° |
| Cell volume | 3016.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 140121 (current) | 2015-07-05 | cif/ Updating files of 4123829, 4123830, 4123831, 4123832 Original log message: Adding full bibliography for 4123829--4123832.cif. |
4123832.cif |
| 139298 | 2015-06-18 | cif/ Adding structures of 4123832 via cif-deposit CGI script. |
4123832.cif |
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Users of the data should acknowledge the original authors of the
structural data.