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Information card for entry 4126195
Preview
| Coordinates | 4126195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 N2 O2 S2 |
|---|---|
| Calculated formula | C14 H10 N2 O2 S2 |
| SMILES | C1(=O)NC(=C\c2cccs2)/C(=O)N/C1=C\c1cccs1 |
| Title of publication | para-Azaquinodimethane: A Compact Quinodimethane Variant as an Ambient Stable Building Block for High-Performance Low Band Gap Polymers. |
| Authors of publication | Liu, Xuncheng; He, Bo; Anderson, Christopher L.; Kang, Jun; Chen, Teresa; Chen, Jinxiang; Feng, Shizhen; Zhang, Lianjie; Kolaczkowski, Matthew A.; Teat, Simon J.; Brady, Michael A.; Zhu, Chenhui; Wang, Lin-Wang; Chen, Junwu; Liu, Yi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 24 |
| Pages of publication | 8355 - 8363 |
| a | 3.8141 ± 0.0005 Å |
| b | 5.585 ± 0.0008 Å |
| c | 14.3443 ± 0.0019 Å |
| α | 95.385 ± 0.009° |
| β | 96.169 ± 0.009° |
| γ | 94.844 ± 0.008° |
| Cell volume | 301.07 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0758 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200662 (current) | 2017-09-12 | cif/ Updating files of 4126195, 4126196 Original log message: Adding full bibliography for 4126195--4126196.cif. |
4126195.cif |
| 197621 | 2017-06-08 | cif/ Adding structures of 4126195 via cif-deposit CGI script. |
4126195.cif |
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Users of the data should acknowledge the original authors of the
structural data.