checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2008lsh010
Bond precision: C-C = 0.0021 A Wavelength=0.71073
Cell: a=11.9225(7) b=7.2026(2) c=17.4291(10)
alpha=90 beta=90 gamma=90
Temperature: 120 K
Calculated Reported
Volume 1496.69(13) 1496.69(13)
Space group P b c a P b c a
Hall group -P 2ac 2ab ?
Moiety formula C8 H10 N2 O C8 H10 N2 O
Sum formula C8 H10 N2 O C8 H10 N2 O
Mr 150.18 150.18
Dx,g cm-3 1.333 1.333
Z 8 8
Mu (mm-1) 0.091 0.091
F000 640.0 640.0
F000' 640.25
h,k,lmax 15,9,22 15,9,22
Nref 1723 1716
Tmin,Tmax 0.991,0.993 0.989,0.993
Tmin' 0.989
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.996 Theta(max)= 27.500
R(reflections)= 0.0512( 1195) wR2(reflections)= 0.1223( 1716)
S = 1.035 Npar= 110

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

Alert level C PLAT420_ALERT_2_C D-H Without Acceptor N2 - H2BN ... ? PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT720_ALERT_4_C Number of Unusual/Non-Standard Labels .......... 2
Alert level G PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 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 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 2008lsh010 - ellipsoid plot

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