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chemwhs木蟲 (著名寫手)
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[求助]
求高手解決這個無序問題
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一個有機物的晶體,投稿后編輯回復如下內(nèi)容: The numbering in the disordered methyl groups is inconsistent and needs to be changed. For one methyl group, the first components are labelled C13a C14a C15a and the second component C13b C14b C15a. For the second methyl group, the two components are labelled C28a C29b C30a and C28b C29a and C30b This must be corrected. I assume that a re-refinement is necessary as the two components should be in separate PARTS. This will ensure that spurious bond distances and angles are not written to the CIF. 哪位高手能解決此問題,請留郵箱 [ Last edited by chemwhs on 2012-2-14 at 16:37 ] |
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木蟲 (著名寫手)
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