checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 07skc0024p21c
Bond precision: C-C = 0.0028 A Wavelength=0.71073
Cell: a=5.5883(2) b=22.5838(12) c=7.3581(4)
alpha=90 beta=98.578(3) gamma=90
Temperature: 120 K
Calculated Reported
Volume 918.24(8) 918.24(8)
Space group P 21/c P21/c
Hall group -P 2ybc ?
Moiety formula C4 H7 N2, C4 H3 O4 ?
Sum formula C8 H10 N2 O4 C8 H10 N2 O4
Mr 198.18 198.18
Dx,g cm-3 1.434 1.434
Z 4 4
Mu (mm-1) 0.117 0.117
F000 416.0 416.0
F000' 416.24
h,k,lmax 7,29,9 7,29,9
Nref 2108 2102
Tmin,Tmax 0.964,0.984 0.955,0.984
Tmin' 0.954
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.997 Theta(max)= 27.480
R(reflections)= 0.0519( 1467) wR2(reflections)= 0.1421( 2102)
S = 1.045 Npar= 130

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

Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 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 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 29/04/2008; check.def file version of 22/04/2008
Datablock 07skc0024p21c - ellipsoid plot

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