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Information card for entry 4034014
Preview
| Coordinates | 4034014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H37 Cl6 F12 N4 O4 Pd2 |
|---|---|
| Calculated formula | C53 H37 Cl6 F12 N4 O4 Pd2 |
| Title of publication | Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol. |
| Authors of publication | Mamidala, Ramesh; Biswal, Priyabrata; Subramani, M. Siva; Samser, Shaikh; Venkatasubbaiah, Krishnan |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 16 |
| Pages of publication | 10472 - 10480 |
| a | 12.6732 ± 0.0014 Å |
| b | 15.4639 ± 0.0007 Å |
| c | 16.0509 ± 0.0008 Å |
| α | 114.873 ± 0.002° |
| β | 96.893 ± 0.003° |
| γ | 94.6 ± 0.003° |
| Cell volume | 2803.2 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222573 (current) | 2019-11-04 | cif/ Adding structures of 4034014 via cif-deposit CGI script. |
4034014.cif |
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