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tanyuan2008

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[交流] 【求助】投稿ACTA，恳求解答一无序限修方法解释

1.  Please rewrite following ### part.

_publ_section_exptl_refinement
;
All H atoms were positioned geometrically and refined using a riding model, with C---H = 0.93 \%A for aryl, 0.98 \%A  methine and 0.97 \%A for methylene H atoms, respectively. U~iso~(H)= 1.2U~eq~(C) for all H atoms. The cyclohexyl group was found to be disordered over two positions and modelled with site--occupancy factors,  from refinement of 0.600 (14) (part A) and 0.400 (14) (part B), respectively.
###
###
  Please add restrains of refinement about disorder refer to RES.
###
###
下面为RES文件部分内容
CELL  0.71073 12.6932 15.0000 23.0365 90.0000 94.0400 90.0000
ZERR 8  0.0013  0.0014  0.0023  0.0000  0.0020  0.0000
LATT 7
SYMM -X, Y, -Z+ 0.50000
SFAC C H N O F S
UNIT 168 184 8 24 24 8
L.S. 15
ACTA
BOND $H
FMAP 2
PLAN 20
OMIT -3 50
CONF
HTAB
DFIX 1.48 0.02 C15 C20B C16 C17B C17A C18B C18A C19B C19A C20B
DFIX -1.48 0.02 C15 C20B C16 C17B C17A C18B C18A C19B C19A C20B
DFIX 1.48 0.02  C15 C20A  C16 C17A C17A C18A C18A C19A C19A C20A
DFIX -1.48 0.02 C15 C20A  C16 C17A C17A C18A C18A C19A C19A C20A
ISOR 0.01  C17A C17B C18A C18B C19A C19B C20A C20B
DELU C17A C17B C18A C18B C19A C19B C20A C20B
MPLA C1 C2 C3 C4 C5 C6
MPLA C8 C9 C10 C11 C12 C13
WGHT 0.068700
FVAR    0.05666 0.59956

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