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Information card for entry 7246393
Preview
Coordinates | 7246393.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H12 O4 S2 |
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Calculated formula | C14 H12 O4 S2 |
Title of publication | Facile dione protection to benzo[1,2-<i>b</i>:6,5-<i>b</i>']dithiophene-4,5-dione (BDTD) in triggering ultraviolet emission - A new member of the emissive 3,3'-bridged dithiophenes. |
Authors of publication | Li, Chengpeng; Kiefel, Milton J. |
Journal of publication | RSC advances |
Year of publication | 2023 |
Journal volume | 13 |
Journal issue | 7 |
Pages of publication | 4713 - 4720 |
a | 13.9393 ± 0.0003 Å |
b | 12.5328 ± 0.0002 Å |
c | 7.4066 ± 0.0001 Å |
α | 90° |
β | 96.018 ± 0.002° |
γ | 90° |
Cell volume | 1286.79 ± 0.04 Å3 |
Cell temperature | 149.99 ± 0.1 K |
Ambient diffraction temperature | 149.99 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0302 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/7246393.html
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