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Information card for entry 4132171
Preview
| Coordinates | 4132171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H26 N2 O3 S |
|---|---|
| Calculated formula | C25 H26 N2 O3 S |
| Title of publication | C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis. |
| Authors of publication | Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 17 |
| Pages of publication | 5805 - 5813 |
| a | 8.9529 ± 0.0011 Å |
| b | 24.098 ± 0.003 Å |
| c | 20.991 ± 0.002 Å |
| α | 90° |
| β | 93.228 ± 0.004° |
| γ | 90° |
| Cell volume | 4521.6 ± 0.9 Å3 |
| Cell temperature | 100 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 | 0.0998 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| 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 |
|---|---|---|---|
| 242199 (current) | 2019-11-26 | cif/ Adding structures of 4132171 via cif-deposit CGI script. |
4132171.cif |
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Users of the data should acknowledge the original authors of the
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