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xwnail2003: ½ð±Ò+10, ¡ï¡ï¡ïºÜÓаïÖú 2015-06-11 07:05:03
xwnail2003: ½ð±Ò+9, ¡ïÓаïÖú 2015-06-11 22:20:06
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xwnail2003: ½ð±Ò+5, ¡ïÓаïÖú 2015-06-10 06:12:54
xwnail2003: ½ð±Ò+5, ¡ïÓаïÖú 2015-06-10 21:07:21
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wang#zheng

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xwnail2003: ½ð±Ò+10, ¡ï¡ï¡ïºÜÓаïÖú 2015-06-10 06:15:10
xwnail2003: ½ð±Ò+1, ¡ïÓаïÖú 2015-06-10 15:04:35
Bond precision: C-C = 0.0083 A Wavelength=1.54178
Cell: a=18.235(4) b=13.596(3) c=9.953(2)
alpha=90 beta=94.39(3) gamma=90
Temperature:  293 K   
Calculated Reported
Volume 2460.3(9)  2460.5(8)
Space group P 21/c  P21/c  
Hall group -P 2ybc  ?  
Moiety formula C27 H27 F N3 O3, Cl  ?  
Sum formula C27 H27 Cl F N3 O3  C27 H27 Cl F N3 O3  
Mr 495.97 495.97  
Dx,g cm-3 1.339 1.339  
Z 4 4  
Mu (mm-1) 1.726 1.726  
F000 1040.0 1040.0
F000' 1044.51   
h,k,lmax 21,16,11 21,16,11
Nref 4277  4273  
Tmin,Tmax 0.706,0.696 0.692,0.713
Tmin' 0.640  
Correction method= # Reported T Limits: Tmin=0.692 Tmax=0.713 AbsCorr = MULTI-SCAN  
Data completeness= 0.999 Theta(max)= 65.950
R(reflections)= 0.0727( 1995) wR2(reflections)= 0.2088( 4273)
S = 1.029 Npar= 317

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

The following ALERTS were generated. Each ALERT has the format
       test-name_ALERT_alert-type_alert-level.
Click on the hyperlinks for more details of the test.
--------------------------------------------------------------------------------Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         47 %     
PLAT241_ALERT_2_C High      Ueq as Compared to Neighbors for .....       O006 Check
PLAT241_ALERT_2_C High      Ueq as Compared to Neighbors for .....       O007 Check
PLAT334_ALERT_2_C Small Average Benzene  C-C Dist. C00L   -C00U          1.37 Ang.  
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0083 Ang.
4Â¥2015-06-09 20:21:24
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