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Information card for entry 7231608
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Coordinates | 7231608.cif |
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Original paper (by DOI) | HTML |
Chemical name | (E)-phenyl(4,4,4-trifluoro-2-iodo-3-(iodomethyl)-1-phenylbut-1-en-1-yl)sulfane |
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Formula | C18 H15 F3 I2 S |
Calculated formula | C18 H15 F3 I2 S |
Title of publication | Thioether-functionalized trifluoromethyl-alkynes, 1,3-dienes and allenes: divergent synthesis from reaction of 2-trifluoromethyl-1,3-conjugated enynes with sulfur nucleophiles |
Authors of publication | Cheng, Huayu; Zhou, Xiaofan; Hu, Anjing; Ding, Shiteng; Wang, Yimo; Xiao, Yuanjing; Zhang, Junliang |
Journal of publication | RSC Advances |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 59 |
Pages of publication | 34088 |
a | 8.6631 ± 0.0005 Å |
b | 9.5398 ± 0.0005 Å |
c | 13.2336 ± 0.0007 Å |
α | 99.341 ± 0.002° |
β | 97.979 ± 0.002° |
γ | 111.362 ± 0.002° |
Cell volume | 981.45 ± 0.09 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0515 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1235 |
Weighted residual factors for all reflections included in the refinement | 0.1267 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/7231608.html
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