Li Xiong, Han Hong-Wei, Meng Xiang-Gao
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 7;65(Pt 12):o3007. doi: 10.1107/S1600536809043992.
THE TITLE COMPOUND [SYSTEMATIC NAME: 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra-propyn-yloxy-2,8,14,20-tetra-thia-calix[4]arene], C(52)H(56)O(4)S(4), is an alkyl-ated product bearing four propyne groups at the lower rim of a 5,11,17,23-tetra-tert-butyl-tetrathia-calix[4]arene. The mol-ecule is located on a crystallographic twofold rotation axis, running through two S atoms and perpendicular to the long axis of the mol-ecule. 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).
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]，化学式为C(52)H(56)O(4)S(4)，是一种在5,11,17,23-四叔丁基四硫杂杯[4]芳烃下缘带有四个丙炔基的烷基化产物。该分子位于一个晶体学二重旋转轴上，该轴穿过两个硫原子并垂直于分子的长轴。四个丙炔基以交替的方式位于四个硫原子平均平面的上方和下方，几乎与杯芳烃的长轴平行。两个晶体学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，占位分别为0.59 (2)和0.41 (2)。
