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Information card for entry 1558612
Preview
| Coordinates | 1558612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 Cl O7 |
|---|---|
| Calculated formula | C23 H21 Cl O7 |
| SMILES | COc1ccc2c(CCc3cc4c(c5c(CC4)cc(cc5)OC)[o+]c23)c1.[O-]Cl(=O)(=O)=O |
| Title of publication | A new pentacyclic pyrylium fluorescent probe that responds to pH imbalance during apoptosis |
| Authors of publication | Chakraborty , Sandip; Joseph, Manu M.; Varughese, Sunil; Ghosh, Samrat; Maiti, Kaustabh; Samanta, Animesh; Ajayaghosh, Ayyappanpillai |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 9.04 ± 0.009 Å |
| b | 16.15 ± 0.008 Å |
| c | 14.32 ± 0.006 Å |
| α | 90° |
| β | 101.67 ± 0.006° |
| γ | 90° |
| Cell volume | 2047 ± 2 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1771 |
| Residual factor for significantly intense reflections | 0.1275 |
| Weighted residual factors for significantly intense reflections | 0.2138 |
| Weighted residual factors for all reflections included in the refinement | 0.2347 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.328 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254369 (current) | 2020-07-17 | cif/ Adding structures of 1558612 via cif-deposit CGI script. |
1558612.cif |
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Users of the data should acknowledge the original authors of the
structural data.