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Information card for entry 7242390
Preview
| Coordinates | 7242390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H32 N4 O4 S2 |
|---|---|
| Calculated formula | C27 H32 N4 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 | 30.948 ± 0.004 Å |
| b | 6.6912 ± 0.0008 Å |
| c | 30.949 ± 0.004 Å |
| α | 90° |
| β | 119.496 ± 0.004° |
| γ | 90° |
| Cell volume | 5578.2 ± 1.2 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0771 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1334 |
| Weighted residual factors for all reflections included in the refinement | 0.1452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7242390.cif |
| 262988 | 2021-03-11 | cif/ Adding structures of 7242388, 7242389, 7242390 via cif-deposit CGI script. |
7242390.cif |
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Users of the data should acknowledge the original authors of the
structural data.