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hcht2006

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[交流] A类错误求助

PLAT035_ALERT_1_A No _chemical_absolute_configuration info given . ?

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cif填写问题。
在cif中加上：
_chemical_absolute_configuration ##。

其中## 可以是：'rm', 'ad', 'rmad', 'syn', 'unk' or '.' , 具体含义：
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.

按实际情况填写吧。