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【求助】投acta cry e被拒，作者写的意见，我该如何解决他提的问题
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各位大侠： 我的水平不高，写了篇文章投acta cry e被拒，编辑提了些意见，我不能解决，请各位大侠帮帮忙，谢谢！我还想问一下，投acta cry e可以更换编辑吗？谢谢！ 下面是编辑提的意见： The refinement has not fully converged and the number of L.S. was low. You should after each cycle change in the generated *.res the weighting scheme as suggested, to rename *res to *.ins and to repeat the refinement until the wighting scheme more or less converges to stable values. One again: There is a very short O…H…O hydrogen bond. It is wrong to restrain the pertinent distance O-H. All the description and the discussion of the structure is wrong! _publ_section_exptl_refinement ; Positional parameters of all the H atoms bonded to O and N atoms were calculated geometrically and were allowed to ride on the C atoms to which they are bonded. All H atoms had their displacement parameters constrained to be 1.2 (for those bonded to C atoms) or 1.5 (for those bonded to N and O atoms) times that of their hosts. O---H distances were refined with a restrained bond distance of 0.82 (1) \%A using DFIX command implemented in SHELXL97 (Sheldrick, 2008). ; This is a blunder! You should always consult the difference electron density map. If you had had done it you would have seen the position of the H atom involved in the short O…H…O bond. _publ_section_abstract ; The bisphosphonic acid group in the title compound, C~7~H~14~N~2~O~7~P~2~, has a strcture similar to zoledronic acid (ZL). ZL is a potent bone antiresorptive bisphosphonate drug having significant activity against several parasitic protozoa. EIHDP has inner-salt character, consisting of a negatively charged PO~3~ group and a positively charged N1 atom. The crystal packing is dominated by an extensive hydrogen bonding network. ; There is no PO3 group, rather alkylphosphate. ZL has nothing to do in Abstract because it is not a title structure. “inner salt” character: It is quite common that the parts of the molecules have a different charge. The most important features, such as the description of the H-bonding, is missing. phosphonate atom O7 is ionized and the H atom is transferred to atom N1, which adopts a tetrahedral geometry (Table 1). But O7 is an acceptor of the H-bond. Why is not ionized O5? In other words how can you determine the origin of the H atom attached to N? Please avoid using abbreviations: The PCP backbone I must partly apologize for one thing: Using a higher theta limit you the theta shell is not complete. I would suggest you to remeasure the structure again Even _diffrn_measured_fraction_theta_max 0.976 _diffrn_reflns_theta_full 25.00 is quite low. Your submission has been rejected twice. It would be pity if such a structure is lost in case of rejection because the short O…O hydrogen bond is quite interesting. |
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