checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2008src1282
Bond precision: C-C = 0.0044 A Wavelength=0.71073
Cell: a=9.2292(5) b=5.7759(3) c=19.7467(12)
alpha=90 beta=102.396(3) gamma=90
Temperature: 120 K
Calculated Reported
Volume 1028.10(10) 1028.10(10)
Space group P 21/c P21/c
Hall group -P 2ybc ?
Moiety formula C11 H15 N3 O ?
Sum formula C11 H15 N3 O C11 H15 N3 O
Mr 205.26 205.26
Dx,g cm-3 1.326 1.326
Z 4 4
Mu (mm-1) 0.088 0.088
F000 440.0 440.0
F000' 440.16
h,k,lmax 11,7,25 11,7,25
Nref 2357 2349
Tmin,Tmax 0.993,0.999 0.990,0.999
Tmin' 0.990
Correction method= MULTI-SCAN
Data completeness= 0.997 Theta(max)= 27.480
R(reflections)= 0.0827( 1518) wR2(reflections)= 0.1620( 2349)
S = 1.107 Npar= 137

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

Alert level C PLAT410_ALERT_2_C Short Intra H...H Contact H5 .. H8B .. 1.98 Ang. 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 0.990
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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 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 2008src1282 - ellipsoid plot

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