KBH4. There are six unique molecules in the unit. The molecule has a threefold symmetry axis passing through the bridgehead nitrogen atoms in the structure. As a result, only one strand of the cryptand molecule is present in the asymmetric unit. The structure presents an endoendo conformation, with the distance between the two bridgehead nitrogen atoms of 10.030(8) Å.
标题化合物 1,4,13,22,27-pentaaza-6,9:17,20:29,32-tribenzo-10,16,33-trioxabicyclo[11,11,11]pentatricontane (
C33H45N5O3) 是在La(
NO3)3·6H2O作为模板剂存在下,通过三醛(4,4′,4″-三甲酰基-三苯氧基
三乙胺)与
三(2-氨基乙基)胺(tren)的[1+1]三足缩合合成,然后用 KBH4 还原。该单元中有六个独特的分子。该分子具有穿过结构中桥头氮原子的三重对称轴。结果,在不对称单元中仅存在隐窝分子的一条链。该结构呈现内内构象,两个桥头氮原子之间的距离为 10.030(8) Å。