解像度: 1.7→58.37 Å / Num. parameters: 31673 / Num. restraintsaints: 31045 / 交差検証法: FREE R / σ(F): 0 / 立体化学のターゲット値: ENGH & HUBER 詳細: ANISOTROPIC SCALING APPLIED BY THE METHOD OF PARKIN, MOEZZI & HOPE, J.APPL.CRYST.28(1995)53-56. HYDROGENS HAVE BEEN ADDED AT GEOMETRICALLY CALCULATED POSITIONS AND REFINED USING A RIDING MODEL.
Rfactor
反射数
%反射
Selection details
Rfree
0.2697
2664
2.5 %
RANDOM
all
0.2206
111293
-
-
obs
0.2193
-
98.2 %
-
溶媒の処理
溶媒モデル: Bulk solvent was treated following the Babinet-Principle refining two parameters, using the SWAT command in SHELXL.
原子変位パラメータ
Biso mean: 33.8 Å2
Refine analyze
Num. disordered residues: 11 / Occupancy sum hydrogen: 6617 / Occupancy sum non hydrogen: 7846