Structure of a propynyl adduct of an oxa-bridged octalin.

C. E. Pfluger; J. Kallmerten; D. J. Plata

doi:10.1107/s0108270189000107

Structure of a propynyl adduct of an oxa-bridged octalin.

C. E. Pfluger, J. Kallmerten, D. J. Plata

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

C20H30O6, Mr = 366.45, monoclinic, P2l/n, a = 10.411 (2), b = 16.084 (3), c = 11.991 (1) A, beta = 100.98 Mg m-3, Mo Ka, lambda V 0.71069 A, mu = 0.097 (2) degrees, V = 1971 (6) A3, Z = 4, Dx = 1.23 Mg m-3, Mo Ka, lambda = 0.71069 A, mu = 0.097 mm-1, F(000) = 792, T = 296 K, R = 0.050, wR = 0.065 for 3430 observed unique reflections. The structure of a key synthetic intermediate for use in a total synthesis of the nargenicin antibiotics has been established by X ray single-crystal methods. Its structure is characterized by an essentially strain-free tricyclic oxa-bridged octalin nucleus, low-energy methoxymethyl ether side-chain conformations and an intramolecular hydrogen bond between the hydroxyl group hydrogen atom and a methoxymethyl ether oxygen atom. Intermolecular packing contacts less than the sum of van der Waals radii consist of weak C-H...O interactions.

Original language	English (US)
Pages (from-to)	1031-1034
Number of pages	4
Journal	Acta crystallographica. Section C, Crystal structure communications
Volume	45 ( Pt 7)
DOIs	https://doi.org/10.1107/s0108270189000107
State	Published - Jul 15 1989

ASJC Scopus subject areas

General Biochemistry, Genetics and Molecular Biology

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title = "Structure of a propynyl adduct of an oxa-bridged octalin.",

abstract = "C20H30O6, Mr = 366.45, monoclinic, P2l/n, a = 10.411 (2), b = 16.084 (3), c = 11.991 (1) A, beta = 100.98 Mg m-3, Mo Ka, lambda V 0.71069 A, mu = 0.097 (2) degrees, V = 1971 (6) A3, Z = 4, Dx = 1.23 Mg m-3, Mo Ka, lambda = 0.71069 A, mu = 0.097 mm-1, F(000) = 792, T = 296 K, R = 0.050, wR = 0.065 for 3430 observed unique reflections. The structure of a key synthetic intermediate for use in a total synthesis of the nargenicin antibiotics has been established by X ray single-crystal methods. Its structure is characterized by an essentially strain-free tricyclic oxa-bridged octalin nucleus, low-energy methoxymethyl ether side-chain conformations and an intramolecular hydrogen bond between the hydroxyl group hydrogen atom and a methoxymethyl ether oxygen atom. Intermolecular packing contacts less than the sum of van der Waals radii consist of weak C-H...O interactions.",

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year = "1989",

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doi = "10.1107/s0108270189000107",

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AU - Kallmerten, J.

AU - Plata, D. J.

PY - 1989/7/15

Y1 - 1989/7/15

N2 - C20H30O6, Mr = 366.45, monoclinic, P2l/n, a = 10.411 (2), b = 16.084 (3), c = 11.991 (1) A, beta = 100.98 Mg m-3, Mo Ka, lambda V 0.71069 A, mu = 0.097 (2) degrees, V = 1971 (6) A3, Z = 4, Dx = 1.23 Mg m-3, Mo Ka, lambda = 0.71069 A, mu = 0.097 mm-1, F(000) = 792, T = 296 K, R = 0.050, wR = 0.065 for 3430 observed unique reflections. The structure of a key synthetic intermediate for use in a total synthesis of the nargenicin antibiotics has been established by X ray single-crystal methods. Its structure is characterized by an essentially strain-free tricyclic oxa-bridged octalin nucleus, low-energy methoxymethyl ether side-chain conformations and an intramolecular hydrogen bond between the hydroxyl group hydrogen atom and a methoxymethyl ether oxygen atom. Intermolecular packing contacts less than the sum of van der Waals radii consist of weak C-H...O interactions.

AB - C20H30O6, Mr = 366.45, monoclinic, P2l/n, a = 10.411 (2), b = 16.084 (3), c = 11.991 (1) A, beta = 100.98 Mg m-3, Mo Ka, lambda V 0.71069 A, mu = 0.097 (2) degrees, V = 1971 (6) A3, Z = 4, Dx = 1.23 Mg m-3, Mo Ka, lambda = 0.71069 A, mu = 0.097 mm-1, F(000) = 792, T = 296 K, R = 0.050, wR = 0.065 for 3430 observed unique reflections. The structure of a key synthetic intermediate for use in a total synthesis of the nargenicin antibiotics has been established by X ray single-crystal methods. Its structure is characterized by an essentially strain-free tricyclic oxa-bridged octalin nucleus, low-energy methoxymethyl ether side-chain conformations and an intramolecular hydrogen bond between the hydroxyl group hydrogen atom and a methoxymethyl ether oxygen atom. Intermolecular packing contacts less than the sum of van der Waals radii consist of weak C-H...O interactions.

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ER -

Structure of a propynyl adduct of an oxa-bridged octalin.

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