HTTP/1.1 200 OK Date: Fri, 03 Aug 2007 15:11:54 GMT Server: Apache/1.3.33 (Unix) mod_perl/1.29 Connection: close Content-Type: text/html; charset=ISO-8859-1 checkCIF/PLATON report (basic structural check)

checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2007src1054
Bond precision: C-C = 0.0040 A Wavelength=0.71073
Cell: a=9.7504(3) b=10.2281(3) c=14.0530(5)
alpha=95.766(2) beta=107.842(2) gamma=96.617(2)
Calculated Reported
Volume 1311.46(8) 1311.46(8)
Space group P -1 P -1
Hall group -P 1 ?
Moiety formula C11 H11 N O ?
Sum formula C11 H11 N O C11 H11 N O
Mr 173.21 173.21
Dx,g cm-3 1.316 1.316
Z 6 6
Mu (mm-1) 0.085 0.085
F000 552.0 552.0
F000' 552.23
h,k,lmax 12,13,18 12,13,18
Nref 6027 5972
Tmin,Tmax 0.992,0.997 0.975,0.997
Tmin' 0.975
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.991 Theta(max)= 27.480
R(reflections)= 0.0788( 4122) wR2(reflections)= 0.1681( 5972)
S = 1.078 Npar= 358

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 . ? PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 200 Deg. PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C210
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 2 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 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 23/04/2007; check.def file version of 23/04/2007
Datablock 2007src1054 - ellipsoid plot

Download CIF editor (enCIFer) from the CCDC
Test a new CIF entry