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Information card for entry 1553546
Preview
| Coordinates | 1553546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H28 O8 |
|---|---|
| Calculated formula | C24 H28 O8 |
| SMILES | O=C(OC)c1c(/C(=C\2CC(C/C2=C(\C)CC)(C(=O)OC)C(=O)OC)C(=O)OC)cccc1 |
| Title of publication | Nickel-catalyzed alkyl-zincation and carboxylation of diynes |
| Authors of publication | Cao, Tao; Ma, Shengming |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 12 |
| Pages of publication | 1711 |
| a | 16.1503 ± 0.0018 Å |
| b | 8.3426 ± 0.0009 Å |
| c | 18.1574 ± 0.0019 Å |
| α | 90° |
| β | 108.184 ± 0.002° |
| γ | 90° |
| Cell volume | 2324.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235120 (current) | 2019-11-23 | cif/ Adding structures of 1553546 via cif-deposit CGI script. |
1553546.cif |
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Users of the data should acknowledge the original authors of the
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