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

Autor: C. Kowala, J. A. Lamberton, B. J. Poppleton
Rok vydání: 1977
Předmět:
Zdroj: Journal of Crystal and Molecular Structure. 7:1-10
ISSN: 1572-8854
0308-4086
DOI: 10.1007/bf01239672
Popis: The methanol adduct of powerine [methyl 10,17-dihydroxy-(16β,17β,20α)-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) A. 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⩾ 2.5σF) intensities. With the configuration at C15 arbitrarily assigned α those at the chiral centers C3-H, C16-CO2Me, C17-OH and C20-H are respectively α,β,β,α: theC-D ring junction istrans and that ofD-E iscis. All bond lengths and bond angles are normal.
Databáze: OpenAIRE
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