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Information card for entry 7134654
Preview
| Coordinates | 7134654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 Li N2 O2 |
|---|---|
| Calculated formula | C16 H20 Li N2 O2 |
| Title of publication | Syntheses and characterisation of terephthalonitrile radical salts |
| Authors of publication | Suo, Meng-Ting; Fleege, Jouke A.; Yutronkie, Nathan J.; Nadurata, Vincent L.; Chernyshov, Dmitry; Rouzières, Mathieu; Mailman, Aaron; Clérac, Rodolphe; Dechambenoit, Pierre |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 54 |
| Pages of publication | 9972 - 9975 |
| a | 28.5128 ± 0.0017 Å |
| b | 11.9757 ± 0.0007 Å |
| c | 20.7828 ± 0.0011 Å |
| α | 90° |
| β | 118.145 ± 0.003° |
| γ | 90° |
| Cell volume | 6257.4 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.1583 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300520 (current) | 2025-07-06 | cif/ Updating files of 7134654, 7134655, 7134656 Original log message: Adding full bibliography for 7134654--7134656.cif. |
7134654.cif |
| 299979 | 2025-06-06 | cif/ Adding structures of 7134654, 7134655, 7134656 via cif-deposit CGI script. |
7134654.cif |
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Users of the data should acknowledge the original authors of the
structural data.