Abstract
In the title compound, C21H30O6, the three acetoxy groups are essentially planar with their normals rotated by −57.75 (4), −62.36 (4) and 63.36 (4)° from the normal to the mean plane of the C6 ring. The arrangement of carbonyl groups around the ring is of two groups ‘up’ and one ‘down’, and the propeller-style arrangement of substituent groups is spoiled with the plane of the ‘down’ group twisted in the opposite direction; all the Cring—O—C—CMe3 conformations are trans. In the crystal, aromatic π–π stacking occurs [centroid–centroid separation = 3.320 (1) Å]; the other main intermolecular interaction is a C—H⋯π-ring contact on the opposing side from the overlapped ring pairing; there are no short C—H⋯O contacts.
Highlights
C21H30O6, the three acetoxy groups are essentially planar with their normals rotated by 57.75 (4), 62.36 (4) and 63.36 (4) from the normal to the mean plane of the C6 ring
The arrangement of carbonyl groups around the ring is of two groups ‘up’ and one ‘down’, and the propellerstyle arrangement of substituent groups is spoiled with the plane of the ‘down’ group twisted in the opposite direction; all the Cring—O—C—CMe3 conformations are trans
In searching for an explanation for solubility differences in this series based on differing intermolecular forces in the solid state, we conducted crystal structure studies on the compounds (Haines & Hughes, 2007), but the results indicated no substantial difference in such intermolecular forces
Summary
R factor = 0.047; wR factor = 0.132; data-to-parameter ratio = 25.4. C21H30O6, the three acetoxy groups are essentially planar with their normals rotated by 57.75 (4), 62.36 (4) and 63.36 (4) from the normal to the mean plane of the C6 ring. The arrangement of carbonyl groups around the ring is of two groups ‘up’ and one ‘down’, and the propellerstyle arrangement of substituent groups is spoiled with the plane of the ‘down’ group twisted in the opposite direction; all the Cring—O—C—CMe3 conformations are trans. Aromatic – stacking occurs [centroid–centroid separation = 3.320 (1) Å]; the other main intermolecular interaction is a C—H -ring contact on the opposing side from the overlapped ring pairing; there are no short C—
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