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Information card for entry 1553439
Preview
| Coordinates | 1553439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H26 O2 |
|---|---|
| Calculated formula | C38 H26 O2 |
| SMILES | O1C(=O)c2cc(ccc2C1=C1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C |
| Title of publication | Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes |
| Authors of publication | Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 5 |
| Pages of publication | 603 |
| a | 9.837 ± 0.002 Å |
| b | 10.766 ± 0.002 Å |
| c | 13.71 ± 0.003 Å |
| α | 87.68 ± 0.03° |
| β | 77.4 ± 0.03° |
| γ | 71.54 ± 0.03° |
| Cell volume | 1343.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234995 (current) | 2019-11-23 | cif/ Adding structures of 1553435, 1553436, 1553437, 1553438, 1553439, 1553440 via cif-deposit CGI script. |
1553439.cif |
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Users of the data should acknowledge the original authors of the
structural data.