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Information card for entry 1542295
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Coordinates | 1542295.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Th2-TIPS |
---|---|
Formula | C50 H66 S4 Si2 |
Calculated formula | C50 H66 S4 Si2 |
Title of publication | Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity |
Authors of publication | Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 5 |
Pages of publication | 3036 |
a | 7.4217 ± 0.0004 Å |
b | 19.0953 ± 0.0011 Å |
c | 19.1877 ± 0.0016 Å |
α | 63.238 ± 0.002° |
β | 89.851 ± 0.003° |
γ | 79.162 ± 0.002° |
Cell volume | 2374.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1101 |
Residual factor for significantly intense reflections | 0.0922 |
Weighted residual factors for significantly intense reflections | 0.2629 |
Weighted residual factors for all reflections included in the refinement | 0.3472 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.561 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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