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Information card for entry 1542295
Preview
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182625 (current) | 2016-05-06 | cif/ Updating files of 1542294, 1542295, 1542296, 1542297 Original log message: Adding full bibliography for 1542294--1542297.cif. |
1542295.cif |
| 174594 | 2016-01-20 | cif/ Adding structures of 1542294, 1542295, 1542296, 1542297 via cif-deposit CGI script. |
1542295.cif |
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Users of the data should acknowledge the original authors of the
structural data.