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Information card for entry 7134758
Preview
| Coordinates | 7134758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50.2 H52.96 Cl3.06 N2 |
|---|---|
| Calculated formula | C50.2027 H52.9634 Cl3.0574 N2 |
| Title of publication | Synthesis of a twisted aza-nanographene featuring a diquinoxaline-fused pyrene |
| Authors of publication | Zhang, Zhiyu; Xu, Zhenxun; Zhang, Aihui; Bai, Fenghua; Hashikawa, Yoshifumi; Chaolumen, Chaolumen |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 9.4575 ± 0.0003 Å |
| b | 13.1091 ± 0.0004 Å |
| c | 17.8161 ± 0.0006 Å |
| α | 83.827 ± 0.002° |
| β | 84.966 ± 0.002° |
| γ | 86.326 ± 0.002° |
| Cell volume | 2184.22 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.079 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1772 |
| Weighted residual factors for all reflections included in the refinement | 0.1919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300173 (current) | 2025-06-25 | cif/ Adding structures of 7134758 via cif-deposit CGI script. |
7134758.cif |
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