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Information card for entry 4131040
Preview
| Coordinates | 4131040.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H23 N3 O5 Pd |
|---|---|
| Calculated formula | C25 H23 N3 O5 Pd |
| Title of publication | Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles. |
| Authors of publication | Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 44 |
| Pages of publication | 14705 - 14712 |
| a | 13.1532 ± 0.0007 Å |
| b | 22.9508 ± 0.0013 Å |
| c | 7.4256 ± 0.0004 Å |
| α | 90° |
| β | 102.08 ± 0.002° |
| γ | 90° |
| Cell volume | 2192 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.045 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.419 |
| 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 |
|---|---|---|---|
| 241348 (current) | 2019-11-25 | cif/ Adding structures of 4131040 via cif-deposit CGI script. |
4131040.cif |
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Users of the data should acknowledge the original authors of the
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