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Information card for entry 7135149
Preview
| Coordinates | 7135149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H26 N2 O |
|---|---|
| Calculated formula | C32 H26 N2 O |
| Title of publication | Design, synthesis and structural investigation of a novel class of aggregation-induced emission (AIE) molecular scaffolds |
| Authors of publication | Ma, Qiyuan; Qin, Hao; He, Xulong; Zheng, Zexi; Ding, Yawen; Yuan, Yu; Zhang, Shuwei; Jia, Xiaodong |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 8.8121 ± 0.0002 Å |
| b | 10.1918 ± 0.0002 Å |
| c | 13.9891 ± 0.0004 Å |
| α | 99.49 ± 0.002° |
| β | 97.145 ± 0.002° |
| γ | 103.344 ± 0.002° |
| Cell volume | 1188.33 ± 0.05 Å3 |
| Cell temperature | 299.13 ± 0.1 K |
| Ambient diffraction temperature | 299.13 ± 0.1 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 | 0.0419 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303198 (current) | 2025-11-06 | cif/ Adding structures of 7135149, 7135150 via cif-deposit CGI script. |
7135149.cif |
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Users of the data should acknowledge the original authors of the
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