Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233332
Preview
| Coordinates | 7233332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H6 Cl2 O |
|---|---|
| Calculated formula | C7 H6 Cl2 O |
| Title of publication | Halobenzyl alcohols as structurally simple organogelators |
| Authors of publication | Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 35 |
| Pages of publication | 5310 |
| a | 7.0731 ± 0.0017 Å |
| b | 7.5134 ± 0.0019 Å |
| c | 21.137 ± 0.005 Å |
| α | 92.27 ± 0.006° |
| β | 94.494 ± 0.007° |
| γ | 94.926 ± 0.007° |
| Cell volume | 1114.5 ± 0.5 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 | 0.0942 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
7233332.cif |
| 223706 | 2019-11-07 | cif/ Updating files of 7233329, 7233330, 7233331, 7233332, 7233333, 7233334 Original log message: Adding full bibliography for 7233329--7233334.cif. |
7233332.cif |
| 217407 | 2019-08-06 | cif/ Adding structures of 7233329, 7233330, 7233331, 7233332, 7233333, 7233334 via cif-deposit CGI script. |
7233332.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.