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Information card for entry 7234621
Preview
| Coordinates | 7234621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H14 N4 O |
|---|---|
| Calculated formula | C26 H14 N4 O |
| SMILES | O=C(c1c2c(cc3ccccc13)cccc2)C.N#Cc1cc(C#N)c(cc1C#N)C#N |
| 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 | 14.4098 ± 0.0014 Å |
| b | 8.1627 ± 0.0006 Å |
| c | 17.1171 ± 0.0011 Å |
| α | 90° |
| β | 95.71 ± 0.007° |
| γ | 90° |
| Cell volume | 2003.4 ± 0.3 Å3 |
| Cell temperature | 100.6 K |
| Ambient diffraction temperature | 100.6 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0978 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219356 (current) | 2019-10-15 | cif/ Adding structures of 7234620, 7234621, 7234622, 7234623 via cif-deposit CGI script. |
7234621.cif |
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Users of the data should acknowledge the original authors of the
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