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beenyma

金虫 (小有名气)

应助: 1 (幼儿园)
金币: 1166.8
帖子: 85
在线: 36.1小时
虫号: 525528
注册: 2008-03-15
性别: MM
专业: 高分子合成化学

[求助] 发的Acta E的文章有些问题求助

本人并不是搞单晶的，做的是有机合成。只是合成了这个新的化合物长出了个不错的单晶，随后解了个单晶。老板要求发Acta E啊，随后收到了那么多审稿意见。本人门外汉，现在很是苦恼，又是放假期间学校做单晶的老师也不理会我，希望有投过Acta E 的兄弟姐妹帮帮忙啊·····老板一直再催，他估计也不是很懂这些，我们都是做有机合成的。下面是编辑审稿意见：
1. The reflection 3 0 0 appears to be blocked by the beamstop or is in a geometrically inaccessible location. This reflection needs to be omitted (OMIT 3 0 0) and the final refinement run again. Please submit new CIF and structure factor files.

2. A _chemical_name_systematic is needed in the CIF.

3. The make and model of the diffractometer used must be specified in the CIF.

4. It appears that in the CIF, the lines beginning with "_computing_" contain the default program and citations generated by SHELXL. Please correct these to show the actual software programs used for each step.

5. All references cited in the Comment must be listed in the "Related Literature" and better descriptions of them are needed so that readers can be better informed of their content.

6. The references must be listed in alphabetical order in the "References" section.

7. A brief statement is needed in the Comment giving the rationale for determining the structure of this particular compound.

8. In the second paragraph of the Comment you mention the "hexahydroxy N-containing heterocycle". This is clearly an error. Also, N2 is 0.114 A from the mean plane defined by C2, C3, C8 and C9 so it is not proper to quote a "dihedral angle" that refers to a plane defined by these four C atoms PLUS N2 since this is not really a planar entity. You should perform a Cremer-Pople anaysis of the ring conformation instead (can be done in PLATON).

9. According to your CIF, the hydrogens attached to N and O were refined independently (not riding or with restrained X-H distances). Please ascertain exactly what you have done with these H-atoms in your re-refinement and correct the "Refinement" section accordingly.

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