6-亚甲基-4-孕烯-3,20-二酮的结构
Structure of 6-methylene-4-pregnene-3,20-dione.
作者信息
Gałdecki Z, Grochulski P, Wawrzak Z, Duax W L, Strong P D
机构信息
Technical University of Lódź, Institute of General Chemistry, Poland.
出版信息
Acta Crystallogr C. 1990 May 15;46 ( Pt 5):941-3. doi: 10.1107/s0108270189013594.
C22H30O2 (1), Mr = 326.47, orthorhombic, P2(1)2(1)2(1), a = 9.662 (3), b = 23.32 (7), c = 8.167 (2) A, V = 1840.3 (4) A3, Z = 4, Dx = 1.178 g cm-3, lambda(Cu K alpha) = 1.5418 A, mu = 5.34 cm-1, F(000) = 712, T = 293 K, R = 0.035, wR = 0.044, S = 1.954 for 2147 unique observed reflections with Fo greater than 2 sigma(Fo). Rings B and C have chair conformations, the A ring assumes an intermediate sofa-half-chair conformation, and the D ring is in the half-chair conformation. The progesterone side chain has the same conformation as observed in 81 steroids; the C16-C17-C20-O20 torsion angle is -18.9 (3) degrees; the C4-C5-C6-C6M torsion angle is -48.6 degrees.
C22H30O2（1），Mr = 326.47，正交晶系，P2(1)2(1)2(1)，a = 9.662（3），b = 23.32（7），c = 8.167（2）埃，V = 1840.3（4）埃³，Z = 4，Dx = 1.178克/厘米³，λ（Cu Kα） = 1.5418埃，μ = 5.34厘米⁻¹，F(000) = 712，T = 293 K，对于2147个Fo大于2σ（Fo）的独立观测反射，R = 0.035，wR = 0.044，S = 1.954。环B和环C呈椅式构象，环A呈中间的沙发 - 半椅式构象，环D呈半椅式构象。孕酮侧链具有与81种甾体中观察到的相同构象；C16 - C17 - C20 - O20扭转角为 -18.9（3）度；C4 - C5 - C6 - C6M扭转角为 -48.6度。
Zotero 插件