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dk8060銀蟲 (小有名氣)
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[求助]
單晶投稿---解析----求指教!! 已有1人參與
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緊急求助,編輯后面這幾個問題到底是什么意思(投單晶文章,編輯回了一些問題,下面是不懂得問題,我該怎樣修改)?請高手指點!急死了: 5) Abstract: As mentioned in review 1, please give the graph-set notation for the main hydrogen-bonding ring motif. 6) Comment: The hydrogen bonding description is still inadequate. I assume that by "O1...N2", you actually mean "N2...H2a...O1". Please include Etter's graph-set notation. 7) Refinement: H atom description is still not sufficient. Riding H atoms have no SU on the distance(這里不懂)。. The N-H and O-H hydrogens are not even mentioned. 這是,該問題的原文: H atoms were placed in calculated positions withC---H = 0.97(1), 0.96 and 0.93(1) \%A for methylene, methyl and aryl H-atoms. All H atoms included in the final cycles of refinement using a riding model, with <i>U</i>~iso~(H) = 1.5<i>U</i>~eq~ (sp3) or 1.2<i>U</i>~eq~ of the carrier atoms. |
專家顧問 (著名寫手)
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專家經(jīng)驗: +759 |
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我對你的問題逐條回復,但僅供參考 5) Abstract: As mentioned in review 1, please give the graph-set notation for the main hydrogen-bonding ring motif. 這個問題是說你應(yīng)該對你化合物中出現(xiàn)的氫鍵環(huán)給出類似于R^n^~m~(A)的表示方法,其中n為氫鍵受體數(shù),上標,m為氫鍵給體數(shù),下標,A為氫鍵環(huán)數(shù)。 6) Comment: The hydrogen bonding description is still inadequate. I assume that by "O1...N2", you actually mean "N2...H2a...O1". Please include Etter's graph-set notation. 這個問題跟上一個類似,說你對氫鍵的描述不夠充分,說白了,就是描述的不夠深入,加一些有關(guān)氫鍵環(huán)表示的描述(同上)就行了。 7) Refinement: H atom description is still not sufficient. Riding H atoms have no SU on the distance(這里不懂)。. The N-H and O-H hydrogens are not even mentioned. 這是,該問題的原文: H atoms were placed in calculated positions withC---H = 0.97(1), 0.96 and 0.93(1) \%A for methylene, methyl and aryl H-atoms. All H atoms included in the final cycles of refinement using a riding model, with <i>U</i>~iso~(H) = 1.5<i>U</i>~eq~ (sp3) or 1.2<i>U</i>~eq~ of the carrier atoms. 這個問題你真不應(yīng)該犯這樣的錯誤,通常情況下,理論加的氫是不應(yīng)該出現(xiàn)不確定度的,也就是說,0.97和0.93后不應(yīng)該跟括號,而你文中又沒有給出N和O上的氫是用什么方法加的,所以審稿人才會提這樣的問題。因此,你需要在修改稿中加入N和O上的加氫方式。 基本就是這樣了,祝你好運! |
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