checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing ....                     Interpreting this report





Datablock: 2009src0062p21c


Bond precision:
   C-C = 0.0063 A
Wavelength=0.71073



Cell:
a=13.5783(7)
b=8.2142(4)
c=12.6554(5)



alpha=90
beta=103.051(3)
gamma=90


Temperature: 
120 K






Calculated
Reported


Volume
1375.06(11)
1375.06(11)


Space group
P 21/c     
P21/c      


Hall group
-P 2ybc    
 ?         

Moiety formula
C14 H17 N5 O

?


Sum formula
C14 H17 N5 O

C14 H17 N5 O



Mr
271.33
271.33



Dx,g cm-3
1.311
1.311



Z
4
4



Mu (mm-1)
0.088
0.088



F000
576.0
576.0


F000'
576.19




h,k,lmax
16,9,15
16,9,15


Nref
2420        
2411        


Tmin,Tmax
0.996,0.999
0.987,0.999


Tmin'
0.987




Correction method= MULTI-SCAN




Data completeness= 0.996
Theta(max)= 24.990



R(reflections)= 0.0868(  1544)
wR2(reflections)= 0.1845(  2411)


S = 1.142
Npar= 183


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
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          6      
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      1.000
            Tmax scaled      0.999 Tmin scaled      0.987
   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check


Publication of your CIF in IUCr journals


A basic structural check has been run on your CIF.
These basic checks will be run on all CIFs submitted for publication in
IUCr journals (Acta Crystallographica, Journal of Applied Crystallography,
Journal of Synchrotron Radiation); however, if you intend to submit to Acta
Crystallographica Section C or E, you should make sure that
full publication
checks are run on the final version of your CIF prior to submission.

Publication of your CIF in other journals
Please refer to the Notes for Authors of the relevant journal for any special instructions relating to CIF submission.


PLATON version of 12/11/2008; check.def file version of 12/11/2008

Datablock 2009src0062p21c - ellipsoid plot





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