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lcyseu

木虫 (小有名气)

[求助] 如何回答这两个审稿意见?

意见1:The authors found in the crystal rac-5 two symmetrically independent molecules having slightly different conformations. Minor (or even significant) changes in the structure of symmetrically independent molecules are almost always accompany the cases of Z '> 1. However, have found this effect, the authors refuse to consider the studied molecules as enantiomers.
小弟想知道第二句话是什么理论?
意见2:Usually, the atoms of symmetry independent molecules of the same substance have the same numbering scheme (with the addition of indices A or B). The authors used for this purpose (see fig. 2), first, different, and secondly, extremely illogical numbering systems. For example, how can we explain that the sequence of bonded with each other atoms within the benzene ring is numbered as C28-C49-C55-C51-C54-C44-C28 for one molecule and as C29-C46-C58-C53-C50-C57-C29 for the other molecule? Do the authors have kept the automatic numbering, generated in the first cycles of refinement?
为何审稿人觉得这两个分子是对称的独立分子?个人觉得是不对称的,我的这两个分子不是是最小不对称单元吗?
小弟才疏学浅,希望达人能指点指点,谢谢了!
晶体的cif文件见附件。
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  • 附件 1 : 110614a.cif
  • 2012-09-04 16:06:37, 31.3 K

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lcyseu

木虫 (小有名气)

自己顶一下,别沉了!
2楼2012-09-06 08:00:13
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