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Information card for entry 4514063
Preview
| Coordinates | 4514063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | hhy3-51 |
|---|---|
| Formula | C30 H64 Br2 P2 Pd2 |
| Calculated formula | C30 H64 Br2 P2 Pd2 |
| Title of publication | Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives |
| Authors of publication | Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 4 |
| Pages of publication | 2516 |
| a | 14.191 ± 0.0005 Å |
| b | 14.4097 ± 0.0005 Å |
| c | 18.8529 ± 0.0006 Å |
| α | 90° |
| β | 90.638 ± 0.002° |
| γ | 90° |
| Cell volume | 3855 ± 0.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0727 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196106 (current) | 2017-05-05 | cif/ Updating files of 4514063, 4514064 Original log message: Adding full bibliography for 4514063--4514064.cif. |
4514063.cif |
| 194126 | 2017-03-10 | cif/ Adding structures of 4514063 via cif-deposit CGI script. |
4514063.cif |
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Users of the data should acknowledge the original authors of the
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