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Information card for entry 1557668
Preview
| Coordinates | 1557668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H9 F2 N O |
|---|---|
| Calculated formula | C15 H9 F2 N O |
| SMILES | Fc1cc(F)c(/C=C/c2oc3ccccc3n2)cc1 |
| Title of publication | “Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation |
| Authors of publication | Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong |
| Journal of publication | Materials Horizons |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | 1566 - 1572 |
| a | 3.8629 ± 0.0002 Å |
| b | 11.5405 ± 0.0007 Å |
| c | 13.9513 ± 0.0007 Å |
| α | 74.149 ± 0.002° |
| β | 82.55 ± 0.002° |
| γ | 87.829 ± 0.002° |
| Cell volume | 593.24 ± 0.06 Å3 |
| Cell temperature | 199 ± 2 K |
| Ambient diffraction temperature | 199 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557668.cif |
| 258156 | 2020-10-06 | cif/ Updating files of 1557668, 1557669, 1557670, 1557671, 1557672, 1557673 Original log message: Adding full bibliography for 1557668--1557673.cif. |
1557668.cif |
| 254006 | 2020-07-06 | cif/ Updating files of 1557668, 1557669, 1557670, 1557671, 1557672, 1557673 Original log message: Adding full bibliography for 1557668--1557673.cif. |
1557668.cif |
| 249785 | 2020-03-27 | cif/ Adding structures of 1557668, 1557669, 1557670, 1557671, 1557672, 1557673 via cif-deposit CGI script. |
1557668.cif |
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Users of the data should acknowledge the original authors of the
structural data.