checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: s92
Bond precision: C-C = 0.0019 A Wavelength=0.71073
Cell: a=13.4814(3) b=7.2705(2) c=17.7911(4)
alpha=90 beta=94.266(1) gamma=90
Temperature: 150 K
Calculated Reported
Volume 1738.99(7) 1738.99(7)
Space group P 21/c P2(1)/c
Hall group -P 2ybc -P 2ybc
Moiety formula C20 H20 O6 ?
Sum formula C20 H20 O6 C20 H20 O6
Mr 356.36 356.36
Dx,g cm-3 1.361 1.361
Z 4 4
Mu (mm-1) 0.101 0.101
F000 752.0 752.0
F000' 752.44
h,k,lmax 16,8,21 16,8,21
Nref 3078 3064
Tmin,Tmax 0.975,0.980 0.975,0.980
Tmin' 0.975
Correction method= EMPIRICAL
Data completeness= 0.995 Theta(max)= 25.030
R(reflections)= 0.0349( 2597) wR2(reflections)= 0.0919( 3064)
S = 1.041 Npar= 316

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

Alert level C PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.70 PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.16 Ratio
Alert level G PLAT793_ALERT_4_G The Model has Chirality at C2 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C19 (Verify) .... R
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 0 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 2 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 13/08/2009; check.def file version of 12/08/2009
Datablock s92 - ellipsoid plot

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