Gao Qingsong, Xie Dexun, An Delie
Department of Chemistry, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 8;69(Pt 7):o1009-10. doi: 10.1107/S1600536813014827. eCollection 2013.
The title thia-calix[4]arene derivative, C72H80O4S8, adopts a 1,3-alternate conformation, where the four 4-methyl-sul-fan-yl-benzyl groups are located alternately at the two sides of a virtual plane defined by the four bridging S atoms. In the crystal, there are no significant inter-molecular inter-actions present. Some of the peripheral tert-butyl and methyl-sulfanyl groups are disordered over two positions. A region of disordered electron density, occupying voids of ca 700 Å(3) for an electron count of 124, was treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155].
标题化合物硫杂杯[4]芳烃衍生物C72H80O4S8采取1,3-交替构象，其中四个4-甲基硫烷基苄基交替位于由四个桥连S原子定义的虚拟平面的两侧。在晶体中，不存在明显的分子间相互作用。一些外围叔丁基和甲硫基在两个位置上无序。使用PLATON中的SQUEEZE程序[Spek(2009 ▶). Acta Cryst. D65, 148 - 155]处理了一个无序电子密度区域，该区域占据约700 Å(3)的空隙，电子计数为124。
