Dq. Shi et al., Synthesis and crystal structure of O,O'-Diisopropyl-5-(4-chlorophenyl)-l-hydroxy-2E,4E-pentadienylphosphonate, CHIN J ST C, 19(4), 2000, pp. 267-270
The crystal structure of the title compound C17H24ClO4P (M-r = 358. 77), ha
s been determined by single-crystal X-ray diffraction. The crystal is tricl
inic with space group P (1) over bar, a = 7. 95(1), b = 10. 49(1), c = 13.
10(2) Angstrom, alpha = 68. 218 (2), beta = 77. 998(2), gamma = 77. 308(2)d
egrees. V = 979. 4(2) Angstrom(3), Z = 2, D-c = 1. 213 g/cm(3), F (000) = 3
78, mu(MoK alpha) = 0. 292 mm(-1) and final R = 0. 0798, wR = 0. 2222 for 3
348 unique reflections (I>2 sigma(I)). X-ray analysis reveals that the two
carbon-carbon double bonds in the molecule are of E,E-configurations, which
is in good agreement with the structure of 5-(4-chlorophenyl)-1-hydroxy-2E
, 4E-pentadienylphosphonate.