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Information card for entry 1550816
Preview
| Coordinates | 1550816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N3 O S2 |
|---|---|
| Calculated formula | C16 H15 N3 O S2 |
| SMILES | S1C(SCC1)c1c(O)c(n2nc3c(n2)cccc3)cc(c1)C |
| Title of publication | Development of a reaction based turn-on fluorosensor and biomarker selective for hypochlorite ion in aqueous medium |
| Authors of publication | Chattopadhyay, Pabitra; Ahmmed, Ejaj; Lohar, Somenath; Ghatak, Sumanta Kumar; HIRA, SUMIT Kumar; Manna, Partha Pratim |
| Journal of publication | Analytical Methods |
| Year of publication | 2019 |
| a | 16.1495 ± 0.0007 Å |
| b | 12.7748 ± 0.0005 Å |
| c | 16.1233 ± 0.0007 Å |
| α | 90° |
| β | 111.003 ± 0.002° |
| γ | 90° |
| Cell volume | 3105.3 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1717 |
| Weighted residual factors for all reflections included in the refinement | 0.1969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.407 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214415 (current) | 2019-03-30 | cif/ Adding structures of 1550816 via cif-deposit CGI script. |
1550816.cif |
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