Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160409
Preview
| Coordinates | 7160409.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H24 O2 |
|---|---|
| Calculated formula | C36 H24 O2 |
| Title of publication | Meyer-Schuster rearrangement/allylic alkenylation of propynolaldehydes with olefins to skipped 1,4-dienes |
| Authors of publication | Shen, Cheng-Ping; Zhu, Hai-Tao; Li, Guo-Hua; Chang, Xin; Xi, Jia-Jun; Zhou, Ni-Ni; Zhou, An-Xi |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 16.0351 ± 0.0002 Å |
| b | 19.3964 ± 0.0002 Å |
| c | 17.3183 ± 0.0002 Å |
| α | 90° |
| β | 106.538 ± 0.001° |
| γ | 90° |
| Cell volume | 5163.56 ± 0.11 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.1456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298455 (current) | 2025-03-15 | cif/ Adding structures of 7160406, 7160407, 7160408, 7160409, 7160410 via cif-deposit CGI script. |
7160409.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.