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Information card for entry 7242058
Preview
| Coordinates | 7242058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H26 O2 |
|---|---|
| Calculated formula | C30 H26 O2 |
| SMILES | O1CCCCOc2c(C(=C(c3ccccc3)c3ccccc3)c3c1cccc3)cccc2 |
| Title of publication | CH/π-interaction-driven self-assembly of tetraphenylethylene derivatives into the face to face arrangement |
| Authors of publication | Yu, Lirong; Zhang, Mengxing; Lou, Dandan; Li, Jiale; Wang, Xi; Bai, Ming |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 2377 - 2382 |
| a | 9.6474 ± 0.0007 Å |
| b | 10.8318 ± 0.0006 Å |
| c | 12.4029 ± 0.0009 Å |
| α | 103.244 ± 0.006° |
| β | 108.679 ± 0.007° |
| γ | 100.155 ± 0.006° |
| Cell volume | 1150.52 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0575 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1437 |
| Weighted residual factors for all reflections included in the refinement | 0.1559 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242058.cif |
| 260909 | 2021-01-13 | cif/ Adding structures of 7242058 via cif-deposit CGI script. |
7242058.cif |
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Users of the data should acknowledge the original authors of the
structural data.