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Information card for entry 1547556
Preview
| Coordinates | 1547556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H23 N O |
|---|---|
| Calculated formula | C26 H23 N O |
| SMILES | O=C1N(c2c(C1(c1ccccc1)C/C=C/C=C/c1ccccc1)cccc2)C |
| Title of publication | Accessing 1,3-Dienes via Palladium-Catalyzed Allylic Alkylation of Pronucleophiles with Skipped Enynes. |
| Authors of publication | Gao, Shang; Liu, Hao; Yang, Chi; Fu, Zhiyuan; Yao, Hequan; Lin, Aijun |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 18 |
| Pages of publication | 4710 - 4713 |
| a | 9.934 ± 0.002 Å |
| b | 22.154 ± 0.004 Å |
| c | 8.9741 ± 0.0018 Å |
| α | 90° |
| β | 94.349 ± 0.005° |
| γ | 90° |
| Cell volume | 1969.3 ± 0.7 Å3 |
| Cell temperature | 205 K |
| Ambient diffraction temperature | 205 K |
| Number of distinct elements | 4 |
| 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 | 0.1387 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.1816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201707 (current) | 2017-10-05 | cif/ Adding structures of 1547556 via cif-deposit CGI script. |
1547556.cif |
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Users of the data should acknowledge the original authors of the
structural data.