School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, PR China.
Carbohydr Res. 2010 Mar 30;345(5):685-8. doi: 10.1016/j.carres.2009.12.016. Epub 2009 Dec 22.
The crystallographic study of a partially hydrated form of cyclomaltoheptaose (beta-cyclodextrin, betaCD) is reported. C(42)H(70)O(35).7.5H(2)O; space group P2(1) with unit cell constants a=15.1667(5), b=10.1850(3), c=20.9694(7)A, beta=110.993(2) degrees ; final discrepancy index R=0.0760 for the 6181 observed reflections and 784 refined parameters. One water molecule is included in the cavity and distributed over two partially occupied positions, the other 6.5 waters distributed over eight positions are located as space-filler between the macrocycles. The crystal structure belongs to the cage-type, like that observed in Form I (betaCD.12H(2)O; Lindner, K; Saenger, W. Carbohydr. Res. 1982, 99, 103-115) and Form II (betaCD.11H(2)O; Betzel, C., et al. J. Am. Chem. Soc., 1984, 106, 7545-7567).
报道了部分水合形式的环麦芽七糖（β-环糊精，β-CD）的晶体学研究。C（42）H（70）O（35）.7.5H（2）O；空间群 P2（1），单位晶胞常数 a=15.1667（5），b=10.1850（3），c=20.9694（7）A，β=110.993（2）°；对于 6181 个观察到的反射和 784 个精修参数，最终的差异指数 R=0.0760。一个水分子包含在空腔中，并分布在两个部分占据的位置上，另外 6.5 个水分子分布在八个位置上，位于大环之间作为空间填充剂。晶体结构属于笼型结构，与在形式 I（β-CD.12H（2）O；Lindner，K；Saenger，W. Carbohydr. Res. 1982，99，103-115）和形式 II（β-CD.11H（2）O；Betzel，C.，等。J. Am. Chem. Soc.，1984，106，7545-7567）中观察到的结构相同。
