title: Structure of cis,cis-4,6-diphenyl-2-(2-propenyl)-1,3-dioxa-2-phosphorinane 2-oxide.
abstract: C18H19O3P, M(r) = 314.32, monoclinic, P2(1)/n, a = 5.726 (6), b = 14.234 (7), c = 20.08 (1) A, beta = 92.54 (7) degrees, V = 1635 (4) A3, Z = 4, Dx = 1.277 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 1.71 cm-1, F(000) = 664, T = 296 K, R = 0.042, 1813 unique observed reflections. The X-ray structure determination of the title compound shows that the dioxaphosphorinane ring has a chair conformation in which the phosphoryl O atom (P=O) is equatorial, which explains the absence of substantial NMR deshielding by its P=O group on H(4) and H(6), which are axial.
authors.affiliation: Department of Chemistry, Kansas State University, Manhattan 66506.
authors.forename: D H
authors.initials: DH
authors.lastname: Hua
authors.forename: D
authors.initials: D
authors.lastname: Roche
authors.forename: S N
authors.initials: SN
authors.lastname: Bharathi
authors.forename: X
authors.initials: X
authors.lastname: Wu
authors.forename: P D
authors.initials: PD
authors.lastname: Robinson
mesh_terms: D003460:Crystallization; D003498:Cyclic P-Oxides / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D014961:X-Ray Diffraction
chemical_list: D003498:Cyclic P-Oxides; C078299:4,6-diphenyl-2-(2-propenyl)-1,3-dioxa-2-phosphorinane 2-oxide