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Information card for entry 7234327
Preview
| Coordinates | 7234327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2?,5?-difluorobiphenyl-3,5-diyl bis(tert-butyl nitroxide) |
|---|---|
| Formula | C20 H24 F2 N2 O2 |
| Calculated formula | C20 H24 F2 N2 O2 |
| SMILES | Fc1c(c2cc([N](=O)C(C)(C)C)cc([N](=O)C(C)(C)C)c2)cc(F)cc1 |
| Title of publication | Intermediate-paramagnetic phases with a half and a quarter spin entities in fluorinated biphenyl-3,5-diyl bis(tert-butyl nitroxides) |
| Authors of publication | Takuya Konno; Hiroki Kudo; Takayuki Ishida |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 7813 - 7818 |
| a | 9.549 ± 0.004 Å |
| b | 10.244 ± 0.005 Å |
| c | 12.036 ± 0.005 Å |
| α | 111.13 ± 0.04° |
| β | 93.65 ± 0.03° |
| γ | 116.77 ± 0.03° |
| Cell volume | 943.7 ± 0.9 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219061 (current) | 2019-10-03 | cif/ Adding structures of 7234325, 7234326, 7234327 via cif-deposit CGI script. |
7234327.cif |
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Users of the data should acknowledge the original authors of the
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