checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2007may0003
Bond precision: C-C = 0.0029 A Wavelength=0.71073
Cell: a=20.4199(5) b=9.0684(4) c=13.7141(3)
alpha=90 beta=132.070(1) gamma=90
Calculated Reported
Volume 1885.15(11) 1885.15(10)
Space group C 2/c C2/c
Hall group -C 2yc ?
Moiety formula C10 H9 N3 O2 ?
Sum formula C10 H9 N3 O2 C10 H9 N3 O2
Mr 203.20 203.20
Dx,g cm-3 1.432 1.432
Z 8 8
Mu (mm-1) 0.104 0.104
F000 848.0 848.0
F000' 848.37
h,k,lmax 26,11,17 26,11,17
Nref 2176 2131
Tmin,Tmax 0.990,0.996 0.990,0.996
Tmin' 0.990
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.979 Theta(max)= 27.490
R(reflections)= 0.0495( 1639) wR2(reflections)= 0.1052( 2131)
S = 1.086 Npar= 141

The following ALERTS were generated. Each ALERT has the format
Click on the hyperlinks for more details of the test.

Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
Alert level G PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1
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 27/11/2007; check.def file version of 27/11/2007
Datablock 2007may0003 - ellipsoid plot

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