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Information card for entry 4515140
Preview
| Coordinates | 4515140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 F6 N2 O4 S3 |
|---|---|
| Calculated formula | C19 H19 F6 N2 O4 S3 |
| SMILES | S1c2c(N(c3c1cccc3)CCCCC)cccc2.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F |
| Title of publication | Strategy for Stimuli-Induced Spin Control Using a Liquescent Radical Cation. |
| Authors of publication | Suzuki, Shuichi; Maya, Ryochi; Uchida, Yoshiaki; Naota, Takeshi |
| Journal of publication | ACS omega |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 10031 - 10035 |
| a | 17.677 ± 0.002 Å |
| b | 20.167 ± 0.003 Å |
| c | 12.8973 ± 0.0016 Å |
| α | 90° |
| β | 96.7 ± 0.003° |
| γ | 90° |
| Cell volume | 4566.4 ± 1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0832 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220250 (current) | 2019-10-28 | cif/ Adding structures of 4515140 via cif-deposit CGI script. |
4515140.cif |
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Users of the data should acknowledge the original authors of the
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