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Information card for entry 1534399
Preview
Coordinates | 1534399.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H31 F3 N2 O4 S2 |
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Calculated formula | C32 H31 F3 N2 O4 S2 |
SMILES | s1c(C)c(c2[nH+]c([nH]c2c2cc(sc2C)C)c2c3ccccc3cc3c2cccc3)cc1C.FC(F)(F)C(=O)[O-].OC.O |
Title of publication | 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior |
Authors of publication | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 1 |
Pages of publication | 451 |
a | 20.1561 ± 0.0015 Å |
b | 9.0577 ± 0.0007 Å |
c | 17.1173 ± 0.0013 Å |
α | 90° |
β | 93.287 ± 0.001° |
γ | 90° |
Cell volume | 3119.9 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0587 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1601 |
Weighted residual factors for all reflections included in the refinement | 0.1742 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1534399.html
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