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Information card for entry 1558812
Preview
| Coordinates | 1558812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H22 N2 O2 S2 |
|---|---|
| Calculated formula | C27 H22 N2 O2 S2 |
| Title of publication | Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages |
| Authors of publication | Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 24.6968 ± 0.0007 Å |
| b | 9.9776 ± 0.0003 Å |
| c | 9.3115 ± 0.0002 Å |
| α | 90° |
| β | 93.975 ± 0.002° |
| γ | 90° |
| Cell volume | 2288.97 ± 0.11 Å3 |
| Cell temperature | 161 ± 17 K |
| Ambient diffraction temperature | 161 ± 17 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255150 (current) | 2020-08-07 | cif/ Adding structures of 1558808, 1558809, 1558810, 1558811, 1558812, 1558813, 1558814 via cif-deposit CGI script. |
1558812.cif |
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Users of the data should acknowledge the original authors of the
structural data.