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> Again, you have not rotated the Fig. 1 as I asked. Please look in the attached file. Your molecule is oriented in different directions in the Scheme 1 and in the Fig. 1.
>
> Additionally, as I see from _iucr_refine_instructions_details section, you have not optimised SHELXL WGHT parameter. Please use the weighting scheme suggested by SHELXL in the end of your RES file.
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REM  1 in P-1
REM R1 =  0.0641 for   7391 Fo > 4sig(Fo)  and  0.1579 for all  15831 data
REM    893 parameters refined using      0 restraints

END  
     
WGHT      0.0985      0.3043


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