checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2009src0067p21c
Bond precision: C-C = 0.0030 A Wavelength=0.71073
Cell: a=15.1518(5) b=6.1889(2) c=11.2790(3)
alpha=90 beta=109.004(2) gamma=90
Temperature: 120 K
Calculated Reported
Volume 1000.02(5) 1000.02(5)
Space group P 21/c P21/c
Hall group -P 2ybc ?
Moiety formula C10 H14 N4 O ?
Sum formula C10 H14 N4 O C10 H14 N4 O
Mr 206.25 206.25
Dx,g cm-3 1.370 1.370
Z 4 4
Mu (mm-1) 0.094 0.094
F000 440.0 440.0
F000' 440.15
h,k,lmax 19,8,14 19,8,14
Nref 2285 2280
Tmin,Tmax 0.993,0.996 0.988,0.996
Tmin' 0.988
Correction method= MULTI-SCAN
Data completeness= 0.998 Theta(max)= 27.470
R(reflections)= 0.0564( 1793) wR2(reflections)= 0.1216( 2280)
S = 1.049 Npar= 137

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 PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C10 H14 N4 O
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 0 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 0 ALERT type 3 Indicator that the structure quality may be low 1 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 2009src0067p21c - ellipsoid plot

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