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Information card for entry 1547491
Preview
| Coordinates | 1547491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C64 H102 P2 Pd |
|---|---|
| Calculated formula | C64 H102 P2 Pd |
| Title of publication | A Bench-Stable, Single-Component Precatalyst for Silyl-Heck Reactions. |
| Authors of publication | Krause, Sarah B.; McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 20 |
| Pages of publication | 5641 - 5644 |
| a | 13.9909 ± 0.0007 Å |
| b | 21.5456 ± 0.0011 Å |
| c | 10.7208 ± 0.0005 Å |
| α | 90° |
| β | 105.505 ± 0.001° |
| γ | 90° |
| Cell volume | 3114.1 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0497 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547491.cif |
| 202824 | 2017-11-07 | cif/ Updating files of 1547490, 1547491 Original log message: Adding full bibliography for 1547490--1547491.cif. |
1547491.cif |
| 201533 | 2017-09-30 | cif/ Adding structures of 1547491 via cif-deposit CGI script. |
1547491.cif |
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Users of the data should acknowledge the original authors of the
structural data.