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Information card for entry 7238012
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Coordinates | 7238012.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-bromo-9H-thioxanthen-9-one |
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Formula | C13 H0 Br O S |
Calculated formula | C13 Br O S |
Title of publication | One-dimensional π‒π stacking induces highly efficient pure organic room-temperature phosphorescence and ternary-emission single-molecule white light |
Authors of publication | Wen, Yating; Liu, Haichao; Zhang, Shitong; Gao, Yu; Yan, Yan; Yang, Bing |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2019 |
Journal volume | 7 |
Journal issue | 40 |
Pages of publication | 12502 |
a | 3.9237 ± 0.001 Å |
b | 7.2727 ± 0.0019 Å |
c | 19.173 ± 0.005 Å |
α | 88.393 ± 0.004° |
β | 88.616 ± 0.004° |
γ | 82.487 ± 0.004° |
Cell volume | 542.1 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0837 |
Residual factor for significantly intense reflections | 0.0654 |
Weighted residual factors for significantly intense reflections | 0.1792 |
Weighted residual factors for all reflections included in the refinement | 0.1913 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7238012.html
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Users of the data should acknowledge the original authors of the
structural data.