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1. Table 1. Explain why the Goodness of Fit is so small. Perhaps incomplete refinement? Lack of refinement of weights?
2. The absolute configuration was established based on the synthesis but the presence of a heavy atom such as Br should help establish it. Why was it preferred to use the synthesis? How about the use of the Hooft parameter?

¶ÔÓÚÎÊÌâ1£¬¾§ÌåµÄGoodness of Fit ÊÇ0.798£¬¼ì²éʱÊǸöC-level alert£¬ÊÇʲôÔì³ÉµÄÄØ£¿Ôõô´¦Àí£¿Çë½Ì
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        ==========
        _chemical_absolute_configuration  syn
        _refine_ls_abs_structure_details
        'Flack H D (1983), Acta Cryst. A39, 876-881'
        _refine_ls_abs_structure_Flack    0.021(6)
        ==========
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Nov. 11, 2009 submitted
May 10, 2010 accepted

[ Last edited by Ô­ºËÉúÎïµÄÂí¼× on 2010-5-11 at 08:08 ]
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