The Crystal and Molecular Structure of the Unusual Spiro Dihydrofuran Diterpene Nepetaefolin

Robert B. Von Dreele; George Pettit; Richard H. Ode; Robert E. Perdue; James D. White; Percy S. Manchand

doi:10.1021/ja00854a049

The Crystal and Molecular Structure of the Unusual Spiro Dihydrofuran Diterpene Nepetaefolin

Robert B. Von Dreele, George Pettit, Richard H. Ode, Robert E. Perdue, James D. White, Percy S. Manchand

Research output: Contribution to journal › Article

19 Scopus citations

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 p_calcd = 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)
Pages (from-to)	6236-6240
Number of pages	5
Journal	Journal of the American Chemical Society
Volume	97
Issue number	21
DOIs	https://doi.org/10.1021/ja00854a049
State	Published - Oct 1 1975

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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Von Dreele, R. B., Pettit, G., Ode, R. H., Perdue, R. E., White, J. D., & Manchand, P. S. (1975). The Crystal and Molecular Structure of the Unusual Spiro Dihydrofuran Diterpene Nepetaefolin. Journal of the American Chemical Society, 97(21), 6236-6240. https://doi.org/10.1021/ja00854a049

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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 {\AA}, b = 11.484 ± 0.002 {\AA}, c = 15.379 ± 0.003 {\AA}, 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.",

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AU - Von Dreele, Robert B.

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AU - Perdue, Robert E.

AU - White, James D.

AU - Manchand, Percy S.

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