Information card for entry 4128274
| Formula |
C9 H8 O S |
| Calculated formula |
C9 H8 O S |
| SMILES |
S=C1CCc2cccc(O)c12 |
| Title of publication |
Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence. |
| Authors of publication |
Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2019 |
| Journal volume |
141 |
| Journal issue |
25 |
| Pages of publication |
9885 - 9894 |
| a |
7.705 ± 0.004 Å |
| b |
8.751 ± 0.005 Å |
| c |
13.141 ± 0.007 Å |
| α |
88.382 ± 0.019° |
| β |
84.595 ± 0.018° |
| γ |
64.17 ± 0.016° |
| Cell volume |
793.9 ± 0.8 Å3 |
| Cell temperature |
300 ± 2 K |
| Ambient diffraction temperature |
300 ± 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 |
0.0789 |
| Residual factor for significantly intense reflections |
0.0599 |
| Weighted residual factors for significantly intense reflections |
0.1413 |
| Weighted residual factors for all reflections included in the refinement |
0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4128274.html
