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Êé½£Èç·ç: ½ð±Ò+2 2012-05-09 17:24:01
_publ_section_exptl_refinement
;
The C-bound H atoms were positioned geometrically and were included in the
refinement in the riding-model approximation, with C---H = 0.96 \%A
(CH~3~) and U~iso~(H) = 1.5U~eq~(C); 0.97 \%A (CH~2~) and
U~iso~(H) = 1.2U~eq~(C); 0.93 \%A (aryl H) and
U~iso~(H)= 1.2U~eq~(C); O---H = 0.82 \%A and U~iso~(H)
= 1.5U~eq~(O). The absolute structure determined for
bufalin (Rohreret al., 1982) was invoked: the Flack parameter
determined for the title compound not being definitive [-0.11(18) for 1560
Friedel pairs].
;
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