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聚合物

木虫 (著名写手)

[求助] 求助这样的flack parameter是否可以说明单晶的绝对构型是对的?@lich666 已有1人参与

level c
rinta01__3_c the value of rint is greater than 0.12
rint given 0.136
strva01__2_c chirality of atom sites is inverted?
from the cif: _refine_ls_abs_structure_flack 1.024
from the cif: _refine_ls_abs_structure_flack_su 0.010
plat020__3_c the value of rint is greater than 0.12 ......... 0.136 report
plat090__3_c poor data / parameter ratio (zmax > 18) ........ 7.20 note
plat242__2_c low ’mainmol’ ueq as compared to neighbors of c30 check
plat331__2_c small aver phenyl c-c dist c30 -c35 . 1.37 ang.
plat410__2_c short intra h...h contact h1 ..h8 . 1.94 ang.
x,y,z = 1_555 check
plat907__2_c flack x > 0.5, structure needs to be inverted? . 1.02 check
plat987__1_c the flack x is >> 0 - do a basf/twin refinement please check






求助这个单晶是否可以说明其绝对构型是对的?
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聚合物: 金币+2, ★有帮助 2019-03-15 18:56:03
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