Jw. Krajewski et al., X-RAY DETERMINED MOLECULAR-STRUCTURE OF PHA-H,10-ALPHA-H,11-ALPHA-H-GUAI-3,4-EN-6,12-OLIDE (CLADANTHOLIDE), Polish Journal of Chemistry, 68(3), 1994, pp. 509-513
The compound H,7alphaH,10alphaH,11alphaH-guai-3,4-en-6,12-olide (Clada
ntholide) (1) has been isolated and its structure investigated by X-ra
y diffraction. The compound crystallizes in an orthorhombic system, sp
ace group P2(1)2(1)2(1), Z = 4, a = 7.961(2), b = 11.598(5), c = 14.45
1(4) angstrom. The structure was solved by direct methods and refined
by a full-matrix, least-squares procedure to give R = 0.0507 and R(ome
ga) = 0.0338, (omega = 0.957/sigma(F)2). The stereochemistry of 1 as p
ostulated from earlier spectromolecular investigations was fully confi
rmed.