checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2009src0664
Bond precision: C-C = 0.0021 A Wavelength=0.71073
Cell: a=13.3991(5) b=8.2341(3) c=22.8014(8)
alpha=90 beta=96.356(2) gamma=90
Temperature: 120 K
Calculated Reported
Volume 2500.21(16) 2500.20(16)
Space group C 2/c C 2/c
Hall group -C 2yc -C 2yc
Moiety formula C17 H14 O C17 H14 O
Sum formula C17 H14 O C17 H14 O
Mr 234.28 234.28
Dx,g cm-3 1.245 1.245
Z 8 8
Mu (mm-1) 0.076 0.076
F000 992.0 992.0
F000' 992.41
h,k,lmax 17,10,29 17,10,29
Nref 2875 2874
Tmin,Tmax 0.977,0.992 0.978,0.993
Tmin' 0.977
Correction method= MULTI-SCAN
Data completeness= 1.000 Theta(max)= 27.470
R(reflections)= 0.0553( 2077) wR2(reflections)= 0.1638( 2874)
S = 1.046 Npar= 165

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

Alert level B PLAT420_ALERT_2_B D-H Without Acceptor O1 - H1 ... ?
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 0 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 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 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 13/08/2009; check.def file version of 12/08/2009
Datablock 2009src0664 - ellipsoid plot

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