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Information card for entry 4513930
Preview
| Coordinates | 4513930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MGL-8-090 |
|---|---|
| Formula | C39 H70 O2 P2 Pd2 |
| Calculated formula | C39 H70 O2 P2 Pd2 |
| Title of publication | A Trialkylphosphine-Derived Palladacycle as a Catalyst in the Selective Cross-Dimerization of Terminal Arylacetylenes with Terminal Propargyl Alcohols and Amides |
| Authors of publication | Lauer, Matthew G.; Headford, Benjamin R.; Gobble, Olivia M.; Weyhaupt, Michelle B.; Gerlach, Deidra L.; Zeller, Matthias; Shaughnessy, Kevin H. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 9 |
| Pages of publication | 5834 |
| a | 9.7885 ± 0.0003 Å |
| b | 32.8507 ± 0.0011 Å |
| c | 26.2822 ± 0.0009 Å |
| α | 90° |
| β | 93.385 ± 0.002° |
| γ | 90° |
| Cell volume | 8436.5 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0306 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.0541 |
| Weighted residual factors for all reflections included in the refinement | 0.0563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186250 (current) | 2016-09-07 | cif/ Updating files of 4513930 Original log message: Adding full bibliography for 4513930.cif. |
4513930.cif |
| 185035 | 2016-08-06 | cif/ Adding structures of 4513930 via cif-deposit CGI script. |
4513930.cif |
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Users of the data should acknowledge the original authors of the
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