Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7249661
Preview
| Coordinates | 7249661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H14 N4 O3 |
|---|---|
| Calculated formula | C11 H14 N4 O3 |
| Title of publication | Chiral-driven formation of hybrid cyanurates with large birefringence |
| Authors of publication | Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| a | 7.8401 ± 0.0001 Å |
| b | 12.4094 ± 0.0001 Å |
| c | 12.4685 ± 0.0001 Å |
| α | 90° |
| β | 96.71 ± 0.001° |
| γ | 90° |
| Cell volume | 1204.76 ± 0.02 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296185 (current) | 2024-12-03 | cif/ Adding structures of 7249659, 7249660, 7249661 via cif-deposit CGI script. |
7249661.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.