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Information card for entry 4132005
Preview
| Coordinates | 4132005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | XC4 |
|---|---|
| Formula | C32 H25 Cl2 F N O3 P Pd S |
| Calculated formula | C32 H25 Cl2 F N O3 P Pd S |
| Title of publication | Pd-Catalyzed, ortho C-H Methylation and Fluorination of Benzaldehydes Using Orthanilic Acids as Transient Directing Groups. |
| Authors of publication | Chen, Xiao-Yang; Sorensen, Erik J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 8 |
| Pages of publication | 2789 - 2792 |
| a | 12.7112 ± 0.0005 Å |
| b | 14.8397 ± 0.0006 Å |
| c | 15.9385 ± 0.0006 Å |
| α | 90° |
| β | 98.6077 ± 0.0013° |
| γ | 90° |
| Cell volume | 2972.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.0397 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242048 (current) | 2019-11-25 | cif/ Adding structures of 4132005 via cif-deposit CGI script. |
4132005.cif |
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