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Information card for entry 1572919
Preview
| Coordinates | 1572919.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H39 N4 O P S |
|---|---|
| Calculated formula | C62 H39 N4 O P S |
| Title of publication | Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties |
| Authors of publication | Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 13.6771 ± 0.0008 Å |
| b | 14.4294 ± 0.0009 Å |
| c | 14.6848 ± 0.0009 Å |
| α | 60.57° |
| β | 84.003 ± 0.002° |
| γ | 77.723 ± 0.002° |
| Cell volume | 2466.4 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1898 |
| Weighted residual factors for all reflections included in the refinement | 0.1949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295580 (current) | 2024-10-23 | cif/ Adding structures of 1572918, 1572919, 1572920, 1572921 via cif-deposit CGI script. |
1572919.cif |
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Users of the data should acknowledge the original authors of the
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