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Information card for entry 1571633
Preview
| Coordinates | 1571633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H24 B N |
|---|---|
| Calculated formula | C33 H24 B N |
| SMILES | [n]12c(c3c4c5c6c(c3[B]2(CC)CC)ccc2c6c3c5c(cc4)ccc3cc2)c2ccccc2cc1 |
| Title of publication | Enhancing corannulene chemiluminescence, electrochemiluminescence and photoluminescence by means of an azabora-helicene to slow down its bowl inversion. |
| Authors of publication | Qin, Xiaoli; Huang, Lin; Zhan, Ziying; Fu, Peng; Wang, Qing; Zhang, Congyang; Huang, Jianhui; Ding, Zhifeng |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 25 |
| Pages of publication | 9657 - 9668 |
| a | 8.6934 ± 0.0001 Å |
| b | 21.4946 ± 0.0004 Å |
| c | 12.5425 ± 0.0002 Å |
| α | 90° |
| β | 94.276 ± 0.001° |
| γ | 90° |
| Cell volume | 2337.18 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1578 |
| Weighted residual factors for all reflections included in the refinement | 0.1709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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 |
|---|---|---|---|
| 292900 (current) | 2024-07-05 | cif/ Updating files of 1571633 Original log message: Adding full bibliography for 1571633.cif. |
1571633.cif |
| 291847 | 2024-05-15 | cif/ Adding structures of 1571633 via cif-deposit CGI script. |
1571633.cif |
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Users of the data should acknowledge the original authors of the
structural data.