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Information card for entry 1570876
Preview
| Coordinates | 1570876.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H46 O |
|---|---|
| Calculated formula | C51 H46 O |
| Title of publication | Controllable π-π coupling of intramolecular dimer models in aggregated states. |
| Authors of publication | Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 12 |
| Pages of publication | 4364 - 4373 |
| a | 11.3897 ± 0.0003 Å |
| b | 18.137 ± 0.0004 Å |
| c | 19.2706 ± 0.0005 Å |
| α | 83.875 ± 0.002° |
| β | 81.204 ± 0.002° |
| γ | 81.729 ± 0.002° |
| Cell volume | 3878.46 ± 0.17 Å3 |
| Cell temperature | 292.5 ± 0.9 K |
| Ambient diffraction temperature | 292.5 ± 0.9 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0776 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1552 |
| Weighted residual factors for all reflections included in the refinement | 0.167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290864 (current) | 2024-04-05 | cif/ Updating files of 1570870, 1570871, 1570872, 1570873, 1570874, 1570875, 1570876, 1570877, 1570878, 1570879, 1570880, 1570881, 1570882, 1570883, 1570884, 1570885, 1570886, 1570887, 1570888, 1570889, 1570890, 1570891 Original log message: Adding full bibliography for 1570870--1570891.cif. |
1570876.cif |
| 289291 | 2024-02-03 | cif/ Adding structures of 1570870, 1570871, 1570872, 1570873, 1570874, 1570875, 1570876, 1570877, 1570878, 1570879, 1570880, 1570881, 1570882, 1570883, 1570884, 1570885, 1570886, 1570887, 1570888, 1570889, 1570890, 1570891 via cif-deposit CGI script. |
1570876.cif |
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Users of the data should acknowledge the original authors of the
structural data.