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Information card for entry 7227172
Preview
| Coordinates | 7227172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H18 I N O S |
|---|---|
| Calculated formula | C18 H18 I N O S |
| SMILES | [I-].s1c([n+](c2ccccc12)CC)/C=C/c1ccc(OC)cc1 |
| Title of publication | Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite |
| Authors of publication | Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 112 |
| Pages of publication | 111472 |
| a | 7.7022 ± 0.0008 Å |
| b | 10.3394 ± 0.0011 Å |
| c | 11.3339 ± 0.0012 Å |
| α | 97.09 ± 0.004° |
| β | 99.284 ± 0.004° |
| γ | 91.95 ± 0.004° |
| Cell volume | 882.61 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227172.cif |
| 188660 | 2016-11-24 | cif/ Adding structures of 7227171, 7227172 via cif-deposit CGI script. |
7227172.cif |
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Users of the data should acknowledge the original authors of the
structural data.