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Information card for entry 7240341
Preview
| Coordinates | 7240341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H34 N4 O11 S2 |
|---|---|
| Calculated formula | C31 H34 N4 O11 S2 |
| Title of publication | Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon |
| Authors of publication | Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 10.7014 ± 0.0003 Å |
| b | 16.4238 ± 0.0002 Å |
| c | 17.7316 ± 0.0004 Å |
| α | 90° |
| β | 84.66 ± 0.001° |
| γ | 90° |
| Cell volume | 3102.94 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7240341.cif |
| 250961 | 2020-04-21 | cif/ Adding structures of 7240340, 7240341, 7240342 via cif-deposit CGI script. |
7240341.cif |
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Users of the data should acknowledge the original authors of the
structural data.