Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038487
Preview
| Coordinates | 4038487.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 O4 |
|---|---|
| Calculated formula | C18 H20 O4 |
| Title of publication | Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester. |
| Authors of publication | Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.8967 ± 0.0009 Å |
| b | 11.4613 ± 0.001 Å |
| c | 30.389 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3098.7 ± 0.5 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.114 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1232 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301408 (current) | 2025-07-30 | Fixing Z values and formulae |
4038487.cif |
| 253109 | 2020-06-12 | cif/ Adding structures of 4038484, 4038485, 4038486, 4038487, 4038488, 4038489, 4038490 via cif-deposit CGI script. |
4038487.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.