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Information card for entry 4086459
Preview
| Coordinates | 4086459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H32 N2 O4 Pd |
|---|---|
| Calculated formula | C28 H32 N2 O4 Pd |
| Title of publication | Direct Observation of C‒H Cyclopalladation at Tertiary Positions Enabled by an Exo-Directing Group |
| Authors of publication | Ren, Zhi; Dong, Guangbin |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 8 |
| Pages of publication | 1057 |
| a | 5.8758 ± 0.0011 Å |
| b | 17.966 ± 0.004 Å |
| c | 23.513 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2482.1 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182518 (current) | 2016-05-04 | cif/ Updating files of 4086458, 4086459 Original log message: Adding full bibliography for 4086458--4086459.cif. |
4086459.cif |
| 182119 | 2016-04-15 | cif/ Adding structures of 4086459 via cif-deposit CGI script. |
4086459.cif |
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Users of the data should acknowledge the original authors of the
structural data.