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Information card for entry 1544444
Preview
| Coordinates | 1544444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | SDB2t |
|---|---|
| Formula | C37 H24 Cl2 O2 S3 |
| Calculated formula | C37 H24 Cl2 O2 S3 |
| Title of publication | White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism |
| Authors of publication | Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 1909 |
| a | 9.3865 ± 0.0003 Å |
| b | 12.1945 ± 0.0003 Å |
| c | 26.4154 ± 0.0006 Å |
| α | 90° |
| β | 94.268 ± 0.002° |
| γ | 90° |
| Cell volume | 3015.22 ± 0.14 Å3 |
| Cell temperature | 294.83 ± 0.1 K |
| Ambient diffraction temperature | 294.83 ± 0.1 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193734 (current) | 2017-03-05 | cif/ Updating files of 1544443, 1544444 Original log message: Adding full bibliography for 1544443--1544444.cif. |
1544444.cif |
| 187754 | 2016-11-02 | cif/ Adding structures of 1544443, 1544444 via cif-deposit CGI script. |
1544444.cif |
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Users of the data should acknowledge the original authors of the
structural data.