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Information card for entry 7224098
Preview
| Coordinates | 7224098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H23 N O2 |
|---|---|
| Calculated formula | C32 H23 N O2 |
| SMILES | O1c2c(/N=C/c3c(O)cccc3)cc3c(c2C=CC1(c1ccccc1)c1ccccc1)cccc3 |
| Title of publication | Synthesis of an optically switchable salicylaldimine substituted naphthopyran for selective and reversible Cu2+ recognition in aqueous solution |
| Authors of publication | Sahoo, Priya Ranjan; Kumar, Satish |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 11.2751 ± 0.0019 Å |
| b | 9.9438 ± 0.0019 Å |
| c | 21.032 ± 0.004 Å |
| α | 90° |
| β | 97.306 ± 0.017° |
| γ | 90° |
| Cell volume | 2338.9 ± 0.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1522 |
| Residual factor for significantly intense reflections | 0.0889 |
| Weighted residual factors for significantly intense reflections | 0.1732 |
| Weighted residual factors for all reflections included in the refinement | 0.2178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
7224098.cif |
| 175411 | 2016-02-02 | cif/ Adding structures of 7224098 via cif-deposit CGI script. |
7224098.cif |
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