Publications [#233489] of Andrew T. McPhail

Journal Articles

  1. Miller, RW; McPhail, AT; Gross, PM, "X-ray crystal structure analyses and conformational studies of cis-cyclo-octane-1,5-diol and cyclo-octane-1,5-dione", Journal of the Chemical Society Perkin Transactions 2January,, 1979(11), 1527-1531, Royal Society of Chemistry (RSC) [Gateway.cgi], [doi].
    (last updated on 2026/01/21)

    Abstract:
    Single-crystal X-ray analyses of cis-cyclo-octane-1,5-diol (1) and cyclo-octane-1,5-dione (2) have established that the eight membered rings in both compounds adopt boat-chair conformations in the solid state. The observed geometries accord well with those derived by force-field methods. Monoclinic crystals of (1) belong to space group Cc, a = 9.119(4), b = 11.717(5), c = 8.118(4) Å, β = 108.35(5)°, Z = 4. Crystals of (2) are orthorhombic, space group P212121, a = 13.195(6), b = 11.425(5), c = 5.258(3) Å, Z = 4. Both crystal structures were solved by direct methods and refined by full-matrix least-squares calculations to R 0.035 for (1) and 0.078 for (2) over 740 and 850 statistically significant reflections, respectively, measured by diffractometer.