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Information card for entry 7218619
Preview
| Coordinates | 7218619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H16 N2 O3 |
|---|---|
| Calculated formula | C18 H16 N2 O3 |
| SMILES | O=N(=O)c1cc(/C=C/C2=Nc3c(cccc3)C2(C)C)c(O)cc1 |
| Title of publication | Styrylcyanine-based ratiometric and tunable fluorescent pH sensors |
| Authors of publication | Thottiparambil, Abhineeshbabu; Anil Kumar, P. R.; Chakkumkumarath, Lakshmi |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 99 |
| Pages of publication | 56063 |
| a | 16.299 ± 0.002 Å |
| b | 5.7664 ± 0.0006 Å |
| c | 16.537 ± 0.002 Å |
| α | 90° |
| β | 92.692 ± 0.005° |
| γ | 90° |
| Cell volume | 1552.5 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0849 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7218619.cif |
| 180517 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/86. |
7218619.cif |
| 126085 | 2014-10-31 | cif/ Adding structures of 7218618, 7218619 via cif-deposit CGI script. |
7218619.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.