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Information card for entry 1571709
Preview
| Coordinates | 1571709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H67 N |
|---|---|
| Calculated formula | C60 H67 N |
| Title of publication | Difluorenoheteroles: topological control of π conjugation in diradicaloids and mixed-valence radical ions |
| Authors of publication | Prajapati, Bibek; Kwenda, Tendai; Lis, Tadeusz; Chmielewski, Piotr J.; Gómez-García, Carlos J.; Majewski, Marcin A.; Stępień, Marcin |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 26 |
| Pages of publication | 10101 - 10109 |
| a | 9.742 ± 0.002 Å |
| b | 15.56 ± 0.004 Å |
| c | 30.552 ± 0.012 Å |
| α | 90° |
| β | 93.27 ± 0.04° |
| γ | 90° |
| Cell volume | 4624 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1197 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1556 |
| Weighted residual factors for all reflections included in the refinement | 0.1911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292880 (current) | 2024-07-05 | cif/ Updating files of 1571707, 1571708, 1571709 Original log message: Adding full bibliography for 1571707--1571709.cif. |
1571709.cif |
| 292038 | 2024-05-26 | cif/ Adding structures of 1571707, 1571708, 1571709 via cif-deposit CGI script. |
1571709.cif |
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Users of the data should acknowledge the original authors of the
structural data.