Boese, Roland; Roth, Wolfgang R.; Blaeser, Dieter; Latz, Ruediger; Baeumen, Anja:

(E)-3,4-Bis(tert-butyl)-2,5-dimethylhex-3-ene at 125 K.

In: Acta Crystallographica, Section C: Crystal Structure Communications (Acta Crystallogr.Sect.C Cryst.Struct.Commun.), Jg. C54 (1998) ; Nr. 11, S. i, IUC9800055
ISSN: 0108-2701
Zeitschriftenaufsatz / Fach: Chemie
Crystals of the title compd. are triclinic, space group P.hivin.1, with a 6.4252(9), b 8.6755(14), c 14.856(3) .ANG., a 73.359(13), b 83.302(13), g 74.220(12) Deg; Z = 2, dc = 0.977; R = 0.047, Rw(F2) = 0.124 for 4415 reflections. The compd. belongs to the family of sterically crowded alkenes. The mol. has a normal C3-C4 double-bond length of 1.3686(14) .ANG.. The torsion angles around this bond are in good agreement with the results of force-field calcns.