Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1553437
Preview
| Coordinates | 1553437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H27 N O3.5 |
|---|---|
| Calculated formula | C38 H27 N O3.5 |
| 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 | 12.8713 ± 0.0007 Å |
| b | 12.9061 ± 0.0008 Å |
| c | 18.4438 ± 0.0011 Å |
| α | 83.491 ± 0.001° |
| β | 70.221 ± 0.001° |
| γ | 87.197 ± 0.001° |
| Cell volume | 2864.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0783 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1486 |
| Weighted residual factors for all reflections included in the refinement | 0.164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1553437.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.