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Information card for entry 1571708
Preview
| Coordinates | 1571708.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 | 9.141 ± 0.002 Å |
| b | 16.305 ± 0.004 Å |
| c | 16.996 ± 0.005 Å |
| α | 105.22 ± 0.04° |
| β | 91.86 ± 0.04° |
| γ | 99.67 ± 0.03° |
| Cell volume | 2401.8 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1595 |
| Residual factor for significantly intense reflections | 0.1176 |
| Weighted residual factors for significantly intense reflections | 0.3186 |
| Weighted residual factors for all reflections included in the refinement | 0.3408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1571708.cif |
| 292038 | 2024-05-26 | cif/ Adding structures of 1571707, 1571708, 1571709 via cif-deposit CGI script. |
1571708.cif |
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Users of the data should acknowledge the original authors of the
structural data.