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 = 0.0026 A Wavelength=0.71073
Cell: a=8.9541(2) b=7.1843(2) c=19.1662(2)
alpha=90 beta=98.162(1) gamma=90
Temperature: 296 K
Calculated Reported
Volume 1220.45(5) 1220.45(5)
Space group P 21/n P21/n
Hall group -P 2yn ?
Moiety formula C13 H22 O2 ?
Sum formula C13 H22 O2 C13 H22 O2
Mr 210.31 210.31
Dx,g cm-3 1.145 1.145
Z 4 4
Mu (mm-1) 0.075 0.075
F000 464.0 464.0
F000' 464.21
h,k,lmax 10,8,23 10,8,23
Nref 2270 2160
Tmin,Tmax 0.996,0.997 0.981,0.997
Tmin' 0.985
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.952 Theta(max)= 25.500
R(reflections)= 0.0490( 1280) wR2(reflections)= 0.1134( 2160)
S = 0.945 Npar= 160

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

Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.95
Alert level C PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) 20 Ang. PLAT230_ALERT_2_C Hirshfeld Test Diff for C3 - C13 .. 6.35 su
Alert level G PLAT793_ALERT_2_G Check the Absolute Configuration of C1 ..... R PLAT793_ALERT_2_G Check the Absolute Configuration of C4 ..... S PLAT793_ALERT_2_G Check the Absolute Configuration of C6 ..... R
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 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 27/11/2007; check.def file version of 27/11/2007
Datablock s92 - ellipsoid plot

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