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25,26-Bis(propan-2-yl-idene)hepta-cyclo[20.2.1.1(10,13).0(2,21).0(3,8).0(9,14).0(15,20)]hexa-cosa-2(21),3,5,7,9(14),11,15,17,19,23-deca-ene.

ABSTRACT: In the title compound, C(32)H(28), 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-heptenyl substituents. These substituents comprise the pommel and cantle, with each mean plane defined by four atoms proximate to the seat (r.m.s. deviations = 0.002 and 0.004?Å). Relative to the seat, the pommel and cantle bend up 31.16?(4) and 29.40?(5)°, while the benzo units (flaps, r.m.s. deviations = 0.006 and 0.009?Å) bend down 36.75?(4) and 38.46?(4)°. The mean planes of the dimethyl-ethyl-idene units are almost perpendicular to the saddle seat, making dihedral angles 86.89?(4) and 88.01?(4)°.

SUBMITTER: Cooper SM

PROVIDER: S-EPMC3344665 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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25,26-Bis(propan-2-yl-idene)hepta-cyclo[20.2.1.1(10,13).0(2,21).0(3,8).0(9,14).0(15,20)]hexa-cosa-2(21),3,5,7,9(14),11,15,17,19,23-deca-ene.

Cooper Stefan M SM Nauman Tamara R Schaller TR Fronczek Frank R FR Watkins Steven F SF

Acta crystallographica. Section E, Structure reports online 20120428 Pt 5

In the title compound, C(32)H(28), 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-heptenyl substituents. These substituents comprise the pommel and cantle, with each mean plane defined by four atoms proximate to the seat (r.m.s. deviations = 0.002 and 0.004 Å). Relative to the seat, the pommel and cantle bend up 31.16 (4) and ...[more]

PMID: 22590427

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