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Information card for entry 7134991
Preview
| Coordinates | 7134991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H34 N4 O2 |
|---|---|
| Calculated formula | C58 H34 N4 O2 |
| Title of publication | Charge-Transfer Modulated Chiroptical Azacyclooctatetraene-Fused [5]Helicenes with AIE Feature |
| Authors of publication | Yin, Xiaojun; Chen, Xuefeng; Mo, Xuechao; Chen, Junjin; Huang, Mengyu; Ma, Jiacheng; Li, Yulan; Li, Nengquan; Yang, Chuluo |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 8.8479 ± 0.0004 Å |
| b | 11.4027 ± 0.0005 Å |
| c | 11.4991 ± 0.0005 Å |
| α | 86.241 ± 0.002° |
| β | 72.076 ± 0.002° |
| γ | 68.194 ± 0.002° |
| Cell volume | 1023.29 ± 0.08 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302170 (current) | 2025-09-18 | cif/ Adding structures of 7134991 via cif-deposit CGI script. |
7134991.cif |
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