Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7122529
Preview
| Coordinates | 7122529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H17 N O |
|---|---|
| Calculated formula | C23 H17 N O |
| Title of publication | Rapid Assembly of Cyclopentene Spiroisoindolinones via Rhodium-Catalysed Redox-Neutral Cascade Reaction |
| Authors of publication | Yuan, Tingting; Pi, Chao; You, Chang; Cui, Xiuling; Du, Sidong; Wan, Ting; Wu, Yangjie |
| Journal of publication | Chemical Communications |
| Year of publication | 2018 |
| a | 7.92466 ± 0.00018 Å |
| b | 11.5149 ± 0.0003 Å |
| c | 19.0209 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1735.69 ± 0.08 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 | 0.0826 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.1928 |
| Weighted residual factors for all reflections included in the refinement | 0.2066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211707 (current) | 2018-10-31 | cif/ Adding structures of 7122529 via cif-deposit CGI script. |
7122529.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.