Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120846
Preview
| Coordinates | 7120846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H34 N2 O6 |
|---|---|
| Calculated formula | C30 H34 N2 O6 |
| Title of publication | Solvent-free iodine-promoted synthesis of 3,2′-pyrrolinyl spirooxindoles from alkylidene oxindoles and enamino esters under ball-milling conditions |
| Authors of publication | Xu, Hui; Liu, Hong-Wei; Lin, Hao-Sheng; Wang, Guan-Wu |
| Journal of publication | Chemical Communications |
| Year of publication | 2017 |
| a | 11.1373 ± 0.0001 Å |
| b | 24.0612 ± 0.0002 Å |
| c | 11.2256 ± 0.0001 Å |
| α | 90° |
| β | 112.945 ± 0.001° |
| γ | 90° |
| Cell volume | 2770.19 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202583 (current) | 2017-11-04 | cif/ Adding structures of 7120846 via cif-deposit CGI script. |
7120846.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.