Crystal and molecular structure of powerine: Methyl 10,17-dihydroxy-(16β,17β,20α)-yohimban-16-carboxylate期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Crystal and molecular structure of powerine: Methyl 10,17-dihydroxy-(16β,17β,20α)-yohimban-16-carboxylate

Authors:	C. Kowala B. J. Poppleton J. A. Lamberton

Affiliation:	(1) Division of Chemical Physics, CSIRO, P.O. Box 160, 3168 Clayton, Victoria, Australia;(2) Division of Applied Organic Chemistry, CSIRO, P.O. Box 4331, 3001 Melbourne, Victoria, Australia;(3) Division of Applied Organic Chemistry, CSIRO, P.O. Box 4331, 3001 Melbourne, Victoria, Australia

Abstract:	The methanol adduct of powerine [methyl 10,17-dihydroxy-(16,17,20)-yohimban-16-carboxylate], C₂₁H₂₆N₂O₄. CH₃ OH, crystallizes in the orthorhombic space groupP2₁2₁2₁ (no. 19) with cell dimensionsa = 8.558(3),b = 14.162(7),c = 16.993(7) Å. The crystal and molecular structure has been determined by X-ray diffraction analysis and refined using full-matrix least squares methods to a reliability index,R, of 0.090 with 1139 observed (F 2.5_F) intensities. With the configuration at C15 arbitrarily assigned those at the chiral centers C3-H, C16-CO₂Me, C17-OH and C20-H are respectively ,,,: theC-D ring junction istrans and that ofD-E iscis. All bond lengths and bond angles are normal.

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