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首页> 外文期刊>Journal of chemical crystallography >Synthesis and structure determination of 1, 4, 7, 11, 14, 17, 21, 24, 27-nonaoxatriacontan-8, 10, 18, 20, 28, 30-esaone
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Synthesis and structure determination of 1, 4, 7, 11, 14, 17, 21, 24, 27-nonaoxatriacontan-8, 10, 18, 20, 28, 30-esaone

机译:1,4,7,7,11,14,17,21,24,27-nonaoxatriacontan-8,10,18,20,28,30-依沙酮的合成与结构测定

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摘要

The title compound crystallizes in the trigonal space group R-3, with unit-cell parameters: a = 23.261(4), c = 9.537(2) angstrom; lambda(MoK alpha) = 0.71073 angstrom, V = 4469(2) angstrom(3), and Z = 6. The structure has been solved by direct methods using X-ray diffraction techniques. The final reliability index for the computed structure is 0.0826 for 929 observed reflections and 121 refined parameters. Crown ether adopts an almost circular shape and macrocycles are piled up in a columnar arrangement forming tubular nanochannels. The channels are filled with guest CDCl3 molecules, characterised by rotational disorder.
机译:标题化合物在R-3三角空间群中结晶,其晶胞参数为:a = 23.261(4),c = 9.537(2)埃; lambda(MoK alpha)= 0.71073埃,V = 4469(2)埃(3),Z =6。该结构已使用X射线衍射技术通过直接方法解决。对于929个观察到的反射和121个精确参数,计算结构的最终可靠性指标为0.0826。冠醚几乎呈圆形,大环以柱状排列堆积,形成管状纳米通道。通道充满了以旋转无序为特征的客体CDCl3分子。

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