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xwnail2003: ½ð±Ò+20, ¡ï¡ï¡ïºÜÓаïÖú 2014-10-08 14:17:10
Cell: a=16.682(3) b=26.128(5) c=9.5835(19)
alpha=90 beta=90 gamma=90
Temperature:  293 K   
Calculated Reported
Volume 4177.1(14)  4177.1(14)
Space group P 21 21 21  P212121  
Hall group P 2ac 2ab  ?  
Moiety formula C22 H27 N3 O3  C22H27N3O3  
Sum formula C22 H27 N3 O3  C22 H27 N3 O3  
Mr 381.47 381.47  
Dx,g cm-3 1.213 1.213  
Z 8 8  
Mu (mm-1) 0.656 0.656  
F000 1632.0 1632.0
F000' 1636.82   
h,k,lmax 20,31,11 20,31,11
Nref 7637[ 4286] 7601  
Tmin,Tmax   
Tmin'   
Correction method= Not given  
Data completeness= 1.77/1.00 Theta(max)= 68.220
R(reflections)= 0.0696( 6746) wR2(reflections)= 0.2066( 7601)
S = 1.042 Npar= 545

--------------------------------------------------------------------------------

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--------------------------------------------------------------------------------Alert level C
3Â¥2014-10-08 13:59:54
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