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. 2010 Dec 21;1:148. doi: 10.1038/ncomms1151

Table 2. Crystallographically determined dihedral angles and conformational assignments of the -O-CH2-CH2-O- linkers in 1 and 2.

Guest Host Θ 1(°)*/Conf. Θ 2(°)*/Conf. Θ 3(°)*/Conf.
'Collapsed' CS-2 63.9/gauche −87.7/gauche −63.9/gauche
Partial occupancy CC-1 72.3/gauche −165.3/anti 73.8/gauche
MeOH 2 77.4/gauche 171.9/anti 74.5/gauche
Xe 2 (conf. 1)* 73.4/gauche −167.2/anti −175.8/anti
  2 (conf. 2)* 73.5/gauche −166.9/anti 70.7/gauche
  1 71.9/gauche −164.8/anti 73.2/gauche
CDCl3 2 (conf. 1)* 75.3/gauche −174.0/anti −171.7/anti
 
2 (conf. 2)*
75.0/gauche
75.4/gauche
−174.0/anti

*Measured dihedral angles: Θ 1: O2-C46-C47-O3; Θ 2: O8-C56-C57-O9; Θ 3: O5-C51-C52-O6.