checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 06skc0051p21c
Bond precision: C-C = 0.0027 A Wavelength=0.71073
Cell: a=3.9015(2) b=17.3293(10) c=13.8628(7)
alpha=90 beta=96.299(3) gamma=90
Temperature: 120 K
Calculated Reported
Volume 931.61(9) 931.61(9)
Space group P 21/c P21/c
Hall group -P 2ybc ?
Moiety formula C4 H6 O4, 2(C4 H7 N2), C4 H4 O4 ?
Sum formula C16 H24 N4 O8 C8 H12 N2 O4
Mr 400.39 200.20
Dx,g cm-3 1.427 1.427
Z 2 4
Mu (mm-1) 0.115 0.115
F000 424.0 424.0
F000' 424.24
h,k,lmax 5,22,17 5,22,17
Nref 2121 2117
Tmin,Tmax 0.990,0.993 0.989,0.993
Tmin' 0.989
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.998 Theta(max)= 27.480
R(reflections)= 0.0490( 1562) wR2(reflections)= 0.1169( 2117)
S = 1.022 Npar= 132

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

Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 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 06skc0051p21c - ellipsoid plot

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