Structure of 6-fluoro-1 beta,2 beta-methylene-3,20-dioxo-9 beta,10 alpha-pregna-4,6-dien-17 alpha-yl acetate.
C24H29FO4, Mr = 400.5, orthorhombic, P2(1)2(1)2(1), a = 12.207 (1), b = 14.715 (1), c = 11.572 (1) A, V = 2078.7 (5) A3, Z = 4, Dx = 1.28 g cm-3, lambda (Cu K alpha) = 1.5418 A, mu = 7.62 cm-1, F(000) = 856, T = 291 K, final R = 0.041 for 2230 observed reflections. The A and B rings assume flat boat and 9 beta,10 alpha-half-chair conformations, with asymmetry parameters delta C3s = 1.5, delta C1,2s = 11.2 and delta C6,7(2) = 3.1, delta C7s = 15.0, respectively.
Wawrzak
Z
Z
Technical University ofLódź, Institute of Physics, Poland.
Griffin
J F
JF
Strong
P D
PD
Duax
W L
WL
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D008968:Molecular Conformation; D015394:Molecular Structure; D011282:Pregnenediones / Q000737:chemistry*; D014961:X-Ray Diffraction
D011282:Pregnenediones; C006301:DU 41164