Xj. Tang et al., SINGLE-CRYSTAL X-RAY STRUCTURE OF 11-ACETOXY-4-DEOXYASBESTININ-B, Journal of crystallographic and spectroscopic research, 23(8), 1993, pp. 641-644
The crystal structure of 11-acetoxy-4-deoxyasbestinin B (C22H34O4, M(r
) = 362.49) crystallized in the orthorhombic space group P2(1)2(1)2(1)
with a = 10.923(5) angstrom, b = 11. 127(5)angstrom, c = 17.047(5)ang
strom, V = 2072(3) angstrom3, Z = 4, D(x) = 1. 163 g/cm3. Mo K(alpha)
radiation was used for data collection at room temperature. The final
R = 0.042 for 2464 observed reflections. The stereochemical assignment
s of the molecule from the 2-D NMR data are verified totally by the ov
erall geometry of the molecule obtained from the X-ray diffraction ana
lysis.