Crystal and molecular structure of the m-bromobenzoate derivative of bisnorquassin
Keyword(s):
The molecular structure of the m-bromobenzoate derivative of bisnorquassin, C27H27O7Br, has been determined by the heavy atom method. The compound crystallizes in the orthorhombic system, space group P212121, with unit cell dimensions a = 20.09 ± 0.02 Å, b = 14.63 ± 0.02 Å, c = 8.06 + 0.01 Å and 4 molecules in the unit cell. Final atomic parameters have been obtained from a blockdiagonal least-squares refinement using anisotropic temperature parameters. The final agreement residual for 1665 observed reflections is R = 0.107.The structure of bisnorquassin previously proposed by Findlay and Cropp, on the basis of spectroscopic and chemical evidence, is shown to be essentially correct.
1969 ◽
Vol 47
(20)
◽
pp. 3859-3861
◽
1994 ◽
Vol 59
(5)
◽
pp. 1052-1058
◽
1990 ◽
Vol 55
(4)
◽
pp. 1010-1014
◽
1993 ◽
Vol 58
(2)
◽
pp. 335-342
◽