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sunshanqi木虫 (著名写手)
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求助高手！！
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请问各位虫友，本人菜鸟一个，在尝试解单晶，解出来后，去网站检索出现这样一个问题：“PLAT035_ALERT_1_A No _chemical_absolute_configuration info given ”. ? 我应该怎么办？是不是在cif文件中加入“ _chemical_absolute_configuration ”这个，但是在什么位置加啊？ 谢谢各位,不胜感激！！ |
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4楼2009-05-20 16:13:16
sunshanqi
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2楼2009-05-20 14:37:07
xi2004
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3楼2009-05-20 16:11:39
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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. |
5楼2009-05-20 16:29:13