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Acta Chimica Sinica ›› 1982, Vol. 40 ›› Issue (3): 193-200. Next Articles
唐有祺, 李根培, 金祥林, 郝润蓉
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TANO YOU-QI, LI GEN-PEI, JIN XIAG-LIN, HAO RUN-RONG
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The crystal of agrimophol, C26H34O8, is triclinic, space group PI, with a=9.091(3),b=11.195(4),c=11.752(4) Å, α=80.74(3),β=75.66(3),Å=76.46(3)°,Dm 1. 29,(by flotation in KI/H20), Dm1. 29 g·cm-3 for Z=2. The three-dimensional intensity data(2891 independent reflections) were obtained with a Syntex P3/R3 automated four-circle diffractometer. The structure was solved by direct method with SHELXTL and refined by block-diagonal-least-square technique to a conventional R value of 5.7% with ω=1/σ2 for all reflections. The unit cell contains two transmolecules, which are different optical isomers and racemized. The two sig-member rings are planar with neighboring O respectively, and linked by a carbon(sp3)bridge 116.5°) and two hydrogen bonds O-H…O(2.705Åand 2.745Å).The dihedral angle between two planes(six-member rings) is 14.2°.
TANO YOU-QI, LI GEN-PEI, JIN XIAG-LIN, HAO RUN-RONG. THE CRYSTAL AND MOLECULAR STRUCTURE OF AGRIMOPHOL[J]. Acta Chimica Sinica, 1982, 40(3): 193-200.
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