Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7235717
Preview
| Coordinates | 7235717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H12 Cl2 O4 |
|---|---|
| Calculated formula | C16 H12 Cl2 O4 |
| Title of publication | Metal-free DDQ-mediated oxidative C–O coupling of acetalic sp3C–H bonds with carboxylic acids |
| Authors of publication | Li, Jiang-Sheng; Xue, Yuan; Fu, Dong-Mei; Li, Dao-Lin; Li, Zhi-Wei; Liu, Wei-Dong; Pang, Huai-Lin; Zhang, Yue-Fei; Cao, Zhong; Zhang, Ling |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 96 |
| Pages of publication | 54039 |
| a | 7.7369 ± 0.0015 Å |
| b | 7.9449 ± 0.0016 Å |
| c | 12.788 ± 0.003 Å |
| α | 104.35 ± 0.03° |
| β | 97.85 ± 0.03° |
| γ | 92.83 ± 0.03° |
| Cell volume | 751.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0764 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| 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. |
7235717.cif |
| 233250 | 2019-11-23 | cif/ Adding structures of 7235717 via cif-deposit CGI script. |
7235717.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.