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 ρcalcd = 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 |
| State | Published - 1975 |
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ASJC Scopus subject areas
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The crystal and molecular structure of the unusual spiro dihydrofuran diterpene nepetaefolin. / Von Dreele, Robert B.; Pettit, George; Ode, Richard H.; Perdue, Robert E.; White, James D.; Manchand, Percy S.
In: Journal of the American Chemical Society, Vol. 97, No. 21, 1975, p. 6236-6240.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - The crystal and molecular structure of the unusual spiro dihydrofuran diterpene nepetaefolin
AU - Von Dreele, Robert B.
AU - Pettit, George
AU - Ode, Richard H.
AU - Perdue, Robert E.
AU - White, James D.
AU - Manchand, Percy S.
PY - 1975
Y1 - 1975
N2 - 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 ρcalcd = 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.
AB - 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 ρcalcd = 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.
UR - http://www.scopus.com/inward/record.url?scp=0016853542&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0016853542&partnerID=8YFLogxK
M3 - Article
C2 - 1176729
AN - SCOPUS:0016853542
VL - 97
SP - 6236
EP - 6240
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
SN - 0002-7863
IS - 21
ER -