Molecular structure and absolute configuration of (+)-(1R, 2S, 6R, 7S, 1 ' R)-5-(1 '-phenylethylamino)-endo-tricyclo[5,2.1.0(2,6)]deca-4,8-dien-3-one Version 4.0

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Molecular structure and absolute configuration of (+)-(1R, 2S, 6R, 7S, 1 ' R)-5-(1 '-phenylethylamino)-endo-tricyclo[5,2.1.0(2,6)]deca-4,8-dien-3-one
de Gelder R, Smits JMM, Ramesh NG, Bakkeren FJAD, de Groot D, Klunder AJH
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY 28: (6) 497-499 JUN 1998

Document type: Article

Language: English

Cited References: 7

Times Cited: 0

Abstract:
The crystal and molecular structure of (+)-(1R, 2S, 6R, 7S, 1'R)-5-(1'-phenylethylamino)endo-tricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one is described. Based on the known absolute configuration (R) of the alpha-phenylethylamine moiety the X-ray analysis revealed the absolute configuration of the title compound. The structure was refined to R-1 = 0.0298 for 1950 reflections (with I > 2 sigma(I)). Crystal data: C18H19NO, monoclinic, space group P2(1), a = 6.7406(4), b = 9.959(2), c = 11.3123(8)Angstrom, beta = 102.969(5), V = 740.0(2)Angstrom(3), and Z = 2.

Author Keywords:
crystal structure, tricyclodecadienone, enaminone, resolution

Addresses:
de Gelder R, Catholic Univ Nijmegen, Dept Inorgan Chem, Nijmegen SON Res Ctr, Toernooiveld 1, NL-6525 ED Nijmegen, Netherlands.
Catholic Univ Nijmegen, Dept Inorgan Chem, Nijmegen SON Res Ctr, NL-6525 ED Nijmegen, Netherlands.
Catholic Univ Nijmegen, Dept Organ Chem, Nijmegen SON Res Ctr, NL-6525 ED Nijmegen, Netherlands.

Publisher:
PLENUM PUBL CORP, NEW YORK

IDS Number:
127ZQ

ISSN:
1074-1542

Article 14 of 38