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Information card for entry 7234623
Preview
| Coordinates | 7234623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H12 F8 O |
|---|---|
| Calculated formula | C26 H12 F8 O |
| SMILES | Fc1c(F)c2c(c(F)c1F)c(F)c(F)c(F)c2F.c12c(cc3c(c1C(=O)C)cccc3)cccc2 |
| Title of publication | Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission |
| Authors of publication | Shuzhen Li; Yanjun Lin; Dongpeng Yan |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 2527 - 2534 |
| a | 11.5602 ± 0.0007 Å |
| b | 13.855 ± 0.0005 Å |
| c | 13.7535 ± 0.0007 Å |
| α | 90° |
| β | 113.907 ± 0.006° |
| γ | 90° |
| Cell volume | 2013.9 ± 0.2 Å3 |
| Cell temperature | 103.4 K |
| Ambient diffraction temperature | 103.4 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 | 0.0722 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234623.cif |
| 219356 | 2019-10-15 | cif/ Adding structures of 7234620, 7234621, 7234622, 7234623 via cif-deposit CGI script. |
7234623.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.