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Information card for entry 7063774
Preview
| Coordinates | 7063774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H12 F3 N O2 |
|---|---|
| Calculated formula | C18 H12 F3 N O2 |
| Title of publication | Photocatalytic Heck-Matsuda Reaction: Selective Arylation of N-vinyl- and N-allyl- lactams using Pd2(dba)3 |
| Authors of publication | Chávez-Vega, Tomás; Galdámez, Antonio; Lühr, Susan; Vilches Herrera, Luis Marcelo |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 5.053 ± 0.002 Å |
| b | 10.6 ± 0.005 Å |
| c | 14.685 ± 0.006 Å |
| α | 106.032 ± 0.015° |
| β | 95.71 ± 0.015° |
| γ | 91.249 ± 0.016° |
| Cell volume | 751.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1391 |
| Residual factor for significantly intense reflections | 0.096 |
| Weighted residual factors for significantly intense reflections | 0.2706 |
| Weighted residual factors for all reflections included in the refinement | 0.3154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299391 (current) | 2025-04-25 | cif/ Adding structures of 7063774 via cif-deposit CGI script. |
7063774.cif |
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Users of the data should acknowledge the original authors of the
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