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The Crystal and Molecular Structures of Two Stereoisomers of δ5,5′‐Bi‐5H‐dibenzo[a,d]cycloheptene (2,3; 6,7; 2′,3′; 6′,7′‐Tetrabenzoheptafulvalene)

 

作者: K.S. Dichmann,   S.C. Nyburg,   F.H. Pickard,   J. A. Potworowski,  

 

期刊: Acta Crystallographica Section B  (WILEY Available online 1974)
卷期: Volume 30, issue 1  

页码: 27-36

 

ISSN:0567-7408

 

年代: 1974

 

DOI:10.1111/j.1600-5740.1974.tb00006.x

 

出版商: Blackwell Publishing Ltd

 

数据来源: WILEY

 

摘要:

The discovery of two isomerstrans(m.p. 332°) andsyn(m.p. 255°) of the title compound and the assignment of conformations to them is due to Schönberg, Sodtke&Praefcke [Chem. Ber.(1969), 102, 1453]. X‐ray structure analysis confirms the assignment. Thesynisomer, which is converted quantitatively totranswhen molten, crystallizes inP21/cwithZ= 8 and thus has two asymmetric molecules per general position. Thetransisomer also crystallizes inP21/cbut withZ= 2 so that the molecule is centrosymmetric. Molecules of both isomers are severely overcrowded and their geometry is discussed. Thetransisomer has probably the lower free energy at all temperat

 

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