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Information card for entry 1572920
Preview
| Coordinates | 1572920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H21 N2 P S2 |
|---|---|
| Calculated formula | C38 H21 N2 P S2 |
| 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 | 20.9037 ± 0.0014 Å |
| b | 14.1564 ± 0.0009 Å |
| c | 21.8058 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6452.8 ± 0.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1739 |
| Weighted residual factors for all reflections included in the refinement | 0.1754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
1572920.cif |
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