Tetrachloro-p-(o,p)-o-tribenzene: A Building Block for Diels-Alder Oligomers of Benzene and for a Laticyclic Conjugated Hexaene

Angewandte Chemie - International Edition

Volumn 37, Issue 4, 1998, Pages 473-475

  Grimme, Wolfram ^a   Gossel, Joachim ^a   Lex, Johann ^a  

^a UNIVERSITY OF COLOGNE   (Germany)

Author keywords

Arenes; Cycloadditions; Domino reactions; pi interactions; Thermochemistry

Indexed keywords

EID: 0032473449     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3773(19980302)37:4<473::AID-ANIE473>3.0.CO;2-E     Document Type: Article

References (13)

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10. Force field MMX from PCMODEL4 (MM2 + π-VESCF routine, both by N. L. Allinger), Serena Software, Bloomington, IL, USA.
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13. 2(heavy atoms with anisotropic, H atoms with isotropic temperature factors). Programs used: MolEN (Nonius) for structure calculation and SHELXL-93 (G. M. Sheldrick, Universität Göttingen, Germany) for refinement. The calculations were performed in the Regionales Rechenzentrum der Universität zu Köln. Crystallographic data (excluding structure factors) for the structure(s) reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC-100595. Copies of the data can be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB21EZ, UK (fax: (+44)1223-336-033; e-mail: deposit@ccdc.cam. ac.uk).