Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242389
Preview
| Coordinates | 7242389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H33 N3 O4 S2 |
|---|---|
| Calculated formula | C28 H33 N3 O4 S2 |
| Title of publication | Carbazole sulfonamide-based macrocyclic receptors capable of selective complexation of fluoride ion |
| Authors of publication | Luo, Na; Li, Junhong; Sun, Tao; Wan, Suran; Li, Peijia; Wu, Nan; Yan, Ya; Bao, Xiaoping |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 17 |
| Pages of publication | 10203 - 10211 |
| a | 18.5696 ± 0.0004 Å |
| b | 26.4247 ± 0.0006 Å |
| c | 6.5248 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3201.69 ± 0.11 Å3 |
| Cell temperature | 150.03 K |
| Ambient diffraction temperature | 150.03 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0879 |
| Residual factor for significantly intense reflections | 0.0834 |
| Weighted residual factors for significantly intense reflections | 0.2191 |
| Weighted residual factors for all reflections included in the refinement | 0.224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242389.cif |
| 262988 | 2021-03-11 | cif/ Adding structures of 7242388, 7242389, 7242390 via cif-deposit CGI script. |
7242389.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.