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xiongzq9788新虫 (正式写手)
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[交流]
求助A级错误：绝对构型问题
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空间群是_symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1) 检查CIF文件时 Alert level A PLAT035_ALERT_1_A No _chemical_absolute_configuration info given . ? 如何找绝对构型，如何加？ |
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zhaoyangqufu
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2楼2009-03-03 09:03:26
zhaoyangqufu
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waiy2001(金币+1,VIP+0):谢谢帮忙 3-3 12:30
waiy2001(金币+1,VIP+0):谢谢帮忙 3-3 12:30
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可以填rm，ad；rmad；syn；unk；. 具体参考下面： 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' 以上是platon提示，仔细研究一下啊。 |
3楼2009-03-03 09:06:34