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Information card for entry 4135295
Preview
| Coordinates | 4135295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C136 H120 N8 O8 S16 |
|---|---|
| Calculated formula | C136 H120 N8 O8 S16 |
| Title of publication | Ratiometric Turn-On Fluorophore Displacement Ensembles for Nitroaromatic Explosives Detection |
| Authors of publication | Lee, Ji Yoon; Root, Harrison D.; Ali, Rashid; An, Won; Lynch, Vincent M.; Bähring, Steffen; Kim, In Su; Sessler, Jonathan L.; Park, Jung Su |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 17.7127 ± 0.0009 Å |
| b | 20.83 ± 0.0011 Å |
| c | 23.3893 ± 0.0012 Å |
| α | 77.227 ± 0.004° |
| β | 73.33 ± 0.005° |
| γ | 66.176 ± 0.005° |
| Cell volume | 7507.8 ± 0.7 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 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 | 0.1223 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258430 (current) | 2020-10-17 | cif/ Adding structures of 4135295 via cif-deposit CGI script. |
4135295.cif |
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Users of the data should acknowledge the original authors of the
structural data.