Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7232306
Preview
| Coordinates | 7232306.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H9 N O3 |
|---|---|
| Calculated formula | C13 H9 N O3 |
| Title of publication | Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones |
| Authors of publication | Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing |
| Journal of publication | Green Chemistry |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 5 |
| Pages of publication | 991 |
| a | 6.561 ± 0.0003 Å |
| b | 7.0809 ± 0.0004 Å |
| c | 12.0629 ± 0.0006 Å |
| α | 89.067 ± 0.004° |
| β | 87.281 ± 0.003° |
| γ | 78.757 ± 0.003° |
| Cell volume | 549.03 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.2015 |
| Weighted residual factors for all reflections included in the refinement | 0.218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232306.cif |
| 224604 | 2019-11-08 | cif/ Updating files of 7232306, 7232307, 7232308 Original log message: Adding full bibliography for 7232306--7232308.cif. |
7232306.cif |
| 213495 | 2019-02-05 | cif/ Adding structures of 7232306, 7232307, 7232308 via cif-deposit CGI script. |
7232306.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.