Abstract
The crystal and molecular structure of the spiro dihydrofuran diterpene nepetaefolin (1) has been determined. The structure was solved by direct methods analysis of data from a crystal with space group P212121 and a = 11.092 ± 0.002 Å, b = 11.484 ± 0.002 Å, c = 15.379 ± 0.003 Å, Z = 4 and density pcalcd = 1.371 g/cm3. An anisotropic large-block least-squares refinement converged to a conventional residual of R = 0.042 for 2015 reflections recorded with Cu Kα radiation on an automatic four-circle diffractometer. The effects of the considerable steric interactions in this molecule on the bond lengths are discussed.
Original language | English (US) |
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Pages (from-to) | 6236-6240 |
Number of pages | 5 |
Journal | Journal of the American Chemical Society |
Volume | 97 |
Issue number | 21 |
DOIs | |
State | Published - Oct 1 1975 |
ASJC Scopus subject areas
- Catalysis
- Chemistry(all)
- Biochemistry
- Colloid and Surface Chemistry