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Information card for entry 7134327
Preview
| Coordinates | 7134327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PPSCZ |
|---|---|
| Formula | C120 H117.84 Br0.16 N10 |
| Calculated formula | C120 H117.844 Br0.1562 N10 |
| Title of publication | Tuning charge transfer properties in symmetric and asymmetric pyrrolo[3,2-b]pyrrole derivatives with hybridized local and charge-transfer characteristics |
| Authors of publication | Su, Jie; Wei, Jian; Ye, Kaishun; Li, Feiyang; Wang, Mengzhu; Li, Qiuxia; Yuan, Aihua; Zhao, Qiang; Shi, Chao |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 8.9922 ± 0.0004 Å |
| b | 10.9314 ± 0.0004 Å |
| c | 28.0249 ± 0.0009 Å |
| α | 81.537 ± 0.002° |
| β | 84.208 ± 0.003° |
| γ | 88.326 ± 0.003° |
| Cell volume | 2710.58 ± 0.18 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0932 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1453 |
| Weighted residual factors for all reflections included in the refinement | 0.1702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298415 (current) | 2025-03-13 | cif/ Adding structures of 7134327 via cif-deposit CGI script. |
7134327.cif |
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