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Information card for entry 7249457
Preview
| Coordinates | 7249457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H19 F3 N2 O2 |
|---|---|
| Calculated formula | C33 H19 F3 N2 O2 |
| Title of publication | Molecular design and functional outcomes of RTP and TADF traits in isomers |
| Authors of publication | Chen, Meiling; Chen, Yuzhuo; Zhang, Ting; Zhang, Hua; Xiao, Zhiwen; Su, Zhongzhen; Wu, Yunan |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 44 |
| Pages of publication | 32221 - 32228 |
| a | 26.4492 ± 0.001 Å |
| b | 16.7231 ± 0.0006 Å |
| c | 5.3699 ± 0.0002 Å |
| α | 90° |
| β | 94.146 ± 0.004° |
| γ | 90° |
| Cell volume | 2368.96 ± 0.15 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1138 |
| Residual factor for significantly intense reflections | 0.0901 |
| Weighted residual factors for significantly intense reflections | 0.2456 |
| Weighted residual factors for all reflections included in the refinement | 0.267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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 |
|---|---|---|---|
| 295472 (current) | 2024-10-13 | cif/ Adding structures of 7249457, 7249458, 7249459 via cif-deposit CGI script. |
7249457.cif |
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Users of the data should acknowledge the original authors of the
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