Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7238923
Preview
| Coordinates | 7238923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C68 H98 N12 O11 S2 |
|---|---|
| Calculated formula | C68 H98 N12 O11 S2 |
| Title of publication | Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide –NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors |
| Authors of publication | Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 18 |
| Pages of publication | 6596 |
| a | 15.6959 ± 0.0006 Å |
| b | 16.0526 ± 0.0007 Å |
| c | 17.2487 ± 0.0008 Å |
| α | 111.24 ± 0.002° |
| β | 111.383 ± 0.002° |
| γ | 93.571 ± 0.002° |
| Cell volume | 3676.1 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1103 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1891 |
| Weighted residual factors for all reflections included in the refinement | 0.2174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| 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. |
7238923.cif |
| 244463 | 2019-11-28 | cif/ Adding structures of 7238920, 7238921, 7238922, 7238923 via cif-deposit CGI script. |
7238923.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.