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Information card for entry 7220789
Preview
| Coordinates | 7220789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-cyclohexylisothiazolo[5,4-b]pyridin-3(2H)-one |
|---|---|
| Formula | C12 H14 N2 O S |
| Calculated formula | C12 H14 N2 O S |
| SMILES | C1CCCCC1N1C(=O)c2c(nccc2)S1 |
| Title of publication | Novel type of AIE material as highly selective fluorenscent sensor for the detection of cysteine |
| Authors of publication | Tan, Xiaochen; Du, Yanan; Yang, Bingchuan; ma, chen |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 10.001 ± 0.004 Å |
| b | 10.607 ± 0.003 Å |
| c | 12.239 ± 0.004 Å |
| α | 76.315 ± 0.016° |
| β | 71.86 ± 0.02° |
| γ | 73.22 ± 0.02° |
| Cell volume | 1165.8 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 139313 (current) | 2015-06-18 | cif/ Adding structures of 7220789 via cif-deposit CGI script. |
7220789.cif |
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