checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 06skc0034p21c
Bond precision: C-C = 0.0040 A Wavelength=0.71073
Cell: a=6.4624(4) b=18.8186(10) c=7.1493(5)
alpha=90 beta=98.878(4) gamma=90
Temperature: 120 K
Calculated Reported
Volume 859.03(9) 859.03(9)
Space group P 21/c P21/c
Hall group -P 2ybc ?
Moiety formula C4 H7 N2, C3 H3 O4 ?
Sum formula C7 H10 N2 O4 C7 H10 N2 O4
Mr 186.17 186.17
Dx,g cm-3 1.439 1.439
Z 4 4
Mu (mm-1) 0.119 0.119
F000 392.0 392.0
F000' 392.23
h,k,lmax 8,24,9 8,24,9
Nref 1977 1972
Tmin,Tmax 0.993,0.999 0.993,0.999
Tmin' 0.993
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.997 Theta(max)= 27.480
R(reflections)= 0.0609( 1279) wR2(reflections)= 0.1230( 1972)
S = 1.044 Npar= 121

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 RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.103 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.10 PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C4 H7 N2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 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 2 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 29/04/2008; check.def file version of 22/04/2008
Datablock 06skc0034p21c - ellipsoid plot

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