首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetra­propyn­yloxy-2,8,14,20-tetra­thia­calix[4]arene
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5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetra­propyn­yloxy-2,8,14,20-tetra­thia­calix[4]arene

机译:5,11,17,23-四叔丁基-25,26,27,28-四­炔氧基-2,8,14,20-四­杂杯[4]芳烃

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摘要

The title compound [systematic name: 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra­propyn­yloxy-2,8,14,20-tetra­thia­calix[4]arene], C52H56O4S4, is an alkyl­ated product bearing four propyne groups at the lower rim of a 5,11,17,23-tetra-tert-butyl-tetrathia­calix[4]arene. The mol­ecule is located on a crystallographic twofold rotation axis, running through two S atoms and perpendicular to the long axis of the mol­ecule. The four propyne groups, located in an alternate fashion above and below the mean plane of the four S atoms, are almost parallel to the calixarene long axis. The dihedral angle between the two crystallographically independent benzene rings is 86.77 (14)°. Two tert-butyl groups are disordered over two positions with site occupancies of 0.59 (2) and 0.41 (2).
机译:标题化合物[系统名称:5,11,17,23-四叔丁基-25,26,27,28-四丙炔氧基-2,8,14,20-四硫杂杯[4]芳烃],C52H56O4S4,是在5,11,17,23-四叔丁基-四硫杂杯[4]芳烃的下边缘带有四个丙炔基的烷基化产物。分子位于晶体学的两倍旋转轴上,穿过两个S原子并垂直于分子的长轴。四个丙炔基团以交替的方式位于四个S原子的平均平面之上和之下,几乎平行于杯芳烃长轴。两个晶体学上独立的苯环之间的二面角为86.77(14)°。两个叔丁基在两个位置上无序排列,位点占用为0.59(2)和0.41(2)。

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