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Bond precision:        C-C = 0.0116 A        Wavelength=0.71073
Cell:        a=9.0898(19)        b=19.398(4)        c=23.532(5)
alpha=90        beta=90        gamma=90
Temperature:        296 K               
Calculated        Reported
Volume        4149.3(15)        4149.3(15)
Space group        P b c a        Pbca
Hall group        -P 2ac 2ab        ?
Moiety formula        C26 H21 N O4        ?
Sum formula        C26 H21 N O4        C26 H21 N O4
Mr        411.44        411.44
Dx,g cm-3        1.317        1.317
Z        8        8
Mu (mm-1)        0.089        0.089
F000        1728.0        1728.0
F000'        1728.84       
h,k,lmax        10,23,28        10,23,28
Nref        3673        3669
Tmin,Tmax        0.981,0.984        0.981,0.984
Tmin'        0.981       
Correction method= # Reported T Limits: Tmin=0.981 Tmax=0.984 AbsCorr = MULTI-SCAN       
Data completeness= 0.999        Theta(max)= 25.050
R(reflections)= 0.1860( 3140)        wR2(reflections)= 0.2772( 3669)
S = 1.408        Npar= 300
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 B
RFACG01_ALERT_3_B  The value of the R factor is > 0.15
            R factor given   0.186
PLAT082_ALERT_2_B High R1 Value ..................................       0.19 Report
PLAT340_ALERT_3_B Low Bond Precision on  C-C Bonds ...............     0.0116 Ang.  
Alert level C
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.277
RINTA01_ALERT_3_C  The value of Rint is greater than 0.12

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