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li84song

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[交流] 求CIF问题

No _chemical_absolute_configuration info given .
什么意思啊，怎么改

PLAT035 Type_1 Check for _chemical_absolute_configuration
--------------------------------------------------------------------------------

Options are 'rm', 'ad', 'rmad', 'syn', 'unk' or '.'

rm : absolute configuration established by the structure determination
      of a compound containing a chiral reference molecule of known
      absolute configuration.
ad : absolute configuration established by anomalous dispersion effects
      in diffraction measurements on the crystal.
rmad : absolute configuration established by the structure determination
      of a compound containing a chiral reference molecule of known
      absolute configuration and confirmed by anomalous dispersion
      effects in diffraction measurements on the crystal.
syn  : absolute configuration has not been established by anomalous
      dispersion effects in diffraction measurements on the crystal.
      The enantiomer has been assigned by reference to an unchanging
      chiral centre in the synthetic procedure.
unk  : absolute configuration is unknown, there being no firm chemical
      evidence for its assignment to hand and it having not been
      established by anomalous dispersion effects in diffraction
      measurements on the crystal. An arbitrary choice of enantiomer
      has been made.
. : inapplicable.

[ Last edited by li84song on 2009-5-12 at 23:15 ]

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