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Information card for entry 1567017
Preview
| Coordinates | 1567017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H22 N4 S |
|---|---|
| Calculated formula | C17 H22 N4 S |
| Title of publication | A rechargeable molecular solar thermal system below 0 °C |
| Authors of publication | Shangguan, Zhichun; Sun, Wenjin; Zhang, Zhao-Yang; Fang, Dong; Wang, Zhihang; Wu, Si; Deng, Chao; Huang, Xianhui; He, Yixin; Wang, Ruzhu; Li, Tingxian; Moth-Poulsen, Kasper; Li, Tao |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 5.6168 ± 0.0002 Å |
| b | 8.175 ± 0.0002 Å |
| c | 39.0525 ± 0.001 Å |
| α | 87.102 ± 0.001° |
| β | 88.922 ± 0.002° |
| γ | 73.34 ± 0.002° |
| Cell volume | 1715.7 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0649 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275657 (current) | 2022-05-27 | cif/ Adding structures of 1567017, 1567018 via cif-deposit CGI script. |
1567017.cif |
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Users of the data should acknowledge the original authors of the
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