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
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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