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X-ray data for 4, 8-dithiatricyclo[7.2.1.0^(3,10)]dodecane

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Mendeley Data2024-05-29 更新2024-06-27 收录
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https://datadryad.org/stash/dataset/doi:10.5061/dryad.jh9w0vtkd
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资源简介:
The crystal structure of 4, 8-dithiatricyclo[7.2.1.03,10]dodecane was obtained. The structure was solved by direct methods. A total of 9 atoms were located from the E-map. The remaining atoms were located in succeeding difference Fourier syntheses. Hydrogen atoms were included in the refinement but restrained to ride on the atom to which they are bonded.

已成功解析得到4,8-二硫杂三环[7.2.1.03,10]十二烷的晶体结构。该结构通过直接法完成解析。从电子密度图(E-map)中共计定位出9个原子,剩余原子则通过后续的差值傅里叶合成(difference Fourier syntheses)完成定位。氢原子参与了结构精修,但采用骑乘式约束,使其固定于其所键合的原子上。
创建时间:
2024-05-25
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