Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7124302
Preview
| Coordinates | 7124302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N O2 |
|---|---|
| Calculated formula | C16 H15 N O2 |
| Title of publication | Pd-Catalyzed Asymmetric Allylic Substitution Cascade via An Asymmetric Desymmetrization for the Synthesis of Bicyclic Dihydrofurans |
| Authors of publication | Xu, Kai; Liu, Hao; Hou, Yilin; Shen, Jiefeng; Liu, Delong; Zhang, Wanbin |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 4.6461 ± 0.0006 Å |
| b | 11.4107 ± 0.0016 Å |
| c | 24.622 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1305.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1556 |
| Weighted residual factors for all reflections included in the refinement | 0.1632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219301 (current) | 2019-10-12 | cif/ Adding structures of 7124301, 7124302 via cif-deposit CGI script. |
7124302.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.