STRUCTURE OF 9,9'-BITRIPTYCYL

被引：24

作者：

ARDEBILI, MHP

DOUGHERTY, DA

MISLOW, K

SCHWARTZ, LH

WHITE, JG

机构：

[1] PRINCETON UNIV,PRINCETON,NJ 08540

[2] FORDHAM UNIV,BRONX,NY 10458

[3] CUNY,CITY COLL,NEW YORK,NY 10031

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 25期

关键词：

D O I：

10.1021/ja00493a032

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The molecular structure of 9,9'-bitriptycyl has been determined by X-ray crystallography and empirical force field calculations. Agreement is excellent for all bond lengths and angles except for the central bond, where the X-ray distance is 0.031 Å shorter than the calculated value. This discrepancy may be rationalized, in part at least, by invoking rehybridization of the central carbon atoms as a result of strain-induced distortions of valence bond angles; such electronic effects are not taken into account by current empirical force fields. © 1978, American Chemical Society. All rights reserved.

引用

页码：7994 / 7997

页数：4

共 28 条

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