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Information card for entry 1572921
Preview
| Coordinates | 1572921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H47 N4 O2 P S |
|---|---|
| Calculated formula | C66 H47 N4 O2 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 | 11.486 ± 0.0003 Å |
| b | 14.0112 ± 0.0004 Å |
| c | 15.5461 ± 0.0005 Å |
| α | 79.869 ± 0.001° |
| β | 84.017 ± 0.001° |
| γ | 87.229 ± 0.001° |
| Cell volume | 2448.3 ± 0.12 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.1918 |
| Weighted residual factors for all reflections included in the refinement | 0.1988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| 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. |
1572921.cif |
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Users of the data should acknowledge the original authors of the
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