Gautreaux Dixie, Nauman Tamara R Schaller, Fronczek Frank R, Watkins Steven F
Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803-1804, USA.
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3209. doi: 10.1107/S160053681104493X. Epub 2011 Nov 5.
In the title compound, C(26)H(24), the central cyclo-octa-tetra-ene ring has a boat conformation, and the mol-ecule is saddle shaped. The seat is defined by the mean plane of the four-atom attachment points (r.m.s. deviation = 0.014 Å) of the two bicyclo-heptane substituents. These substituents comprise the pommel and cantle, with each mean plane defined by four atoms proximate to the seat (r.m.s. deviations = 0.001 and 0.000 Å). Relative to the seat, the pommel and cantle bend up 33.36 (5) and 34.22 (4)°, while the benzo units (flaps, r.m.s. deviations = 0.008 and 0.013 Å) bend down 33.48 (4) and 36.58 (4)°.
在标题化合物C(26)H(24)中，中心环辛四烯环呈船式构象，分子呈鞍形。鞍座由两个双环庚烷取代基的四原子连接点的平均平面定义（均方根偏差 = 0.014 Å）。这些取代基构成鞍头和鞍尾，每个平均平面由靠近鞍座的四个原子定义（均方根偏差 = 0.001和0.000 Å）。相对于鞍座，鞍头和鞍尾向上弯曲33.36 (5)°和34.22 (4)°，而苯并单元（侧翼，均方根偏差 = 0.008和0.013 Å）向下弯曲33.48 (4)°和36.58 (4)°。
