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Information card for entry 7233330
Preview
| Coordinates | 7233330.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 | 8.2382 ± 0.0014 Å |
| b | 8.6956 ± 0.0014 Å |
| c | 11.674 ± 0.002 Å |
| α | 83.844 ± 0.006° |
| β | 70.803 ± 0.005° |
| γ | 79.456 ± 0.005° |
| Cell volume | 775.4 ± 0.2 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 | 0.0809 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1404 |
| Weighted residual factors for all reflections included in the refinement | 0.1599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| 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. |
7233330.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. |
7233330.cif |
| 217407 | 2019-08-06 | cif/ Adding structures of 7233329, 7233330, 7233331, 7233332, 7233333, 7233334 via cif-deposit CGI script. |
7233330.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.