title: Platelet activating factor antagonist design. 2. X-ray structure of dimethyl 2,3,4,5-tetrahydro-5 beta-(3,4-methylenedioxyphenyl)-2-oxo-3 beta-(3,4,5-trimethoxybenzoyl)-3 alpha,4 alpha-furandicarboxylate.
abstract: C25H24O12, Mr = 516.46, triclinic, P-1, a = 8.780 (3), b = 11.298 (4), c = 13.271 (6) A, alpha = 71.77 (4), beta = 70.31 (3), gamma = 72.66 (3) degrees, V = 1189 A3, Z = 2, Dx = 1.44 g cm-3, lambda (Mo K alpha) = 0.71073 A, mu = 0.74 cm-1, F(000) = 540, T = 293 K, final R = 0.046 for 2495 observed [Fo greater than or equal to 5 sigma (Fo)] reflections. The observed structure reveals a trans disposition for the methoxycarbonyl and aryl substituents at positions 4 and 5 of the heterocycle and a cis-3,4-bis(methoxycarbonyl) relationship. There is no crystallographically imposed symmetry. Several intermolecular van der Waals interactions occur in the cell lattice of this compound.
authors.affiliation: Michael Faraday Laboratories, Northern Illinois University, DeKalb 60115.
authors.forename: J R
authors.initials: JR
authors.lastname: Peterson
authors.forename: H D
authors.initials: HD
authors.lastname: Do
authors.forename: R D
authors.initials: RD
authors.lastname: Rogers
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D005663:Furans / Q000138:chemical synthesis; D008968:Molecular Conformation; D015394:Molecular Structure; D010972:Platelet Activating Factor / Q000037:antagonists & inhibitors*; D014961:X-Ray Diffraction
chemical_list: D005663:Furans; D010972:Platelet Activating Factor; C062575:dimethyl 2,3,4,5-tetrahydro-5-(3,4-methylenedioxyphenyl)-2-oxo-3-(3,4,5-trimethoxybenzoyl)-3,4-furandicarboxylate