No syntax errors found.                               CIF dictionary
Please wait while processing ....                     Interpreting this report
Datablock: exp_4915
Bond precision: C-C = 0.0031 A Wavelength=0.71073
Cell: a=8.3324(7) b=18.0049(15) c=18.9382(19)
alpha=90 beta=90 gamma=90
Temperature: 296 K
Calculated Reported
Volume 2841.2(4) 2841.2(4)
Space group P b c a P b c a
Hall group -P 2ac 2ab -P 2ac 2ab
Moiety formula C17 H13 F2 N O2 C17 H13 F2 N O2
Sum formula C17 H13 F2 N O2 C17 H13 F2 N O2
Mr 301.28 301.29
Dx,g cm-3 1.409 1.409
Z 8 8
Mu (mm-1) 0.110 0.110
F000 1248.0 1248.8
F000' 1248.76
h,k,lmax 9,21,22 9,21,22
Nref 2494 2487
Tmin,Tmax 0.419,1.000
Tmin'
Correction method= # Reported T Limits: Tmin=0.419 Tmax=1.000 AbsCorr = MULTI-SCAN
Data completeness= 0.997 Theta(max)= 24.990
R(reflections)= 0.0445( 1797) wR2(reflections)= 0.1237( 2487)
S = 1.061 Npar= 199 
The following ALERTS were generated. Each ALERT has the format
       test-name_ALERT_alert-type_alert-level.
Click on the hyperlinks for more details of the test.

Alert level C
PLAT053_ALERT_1_C Minimum Crystal Dimension Missing (or Error) ...     Please Check
PLAT054_ALERT_1_C Medium  Crystal Dimension Missing (or Error) ...     Please Check
PLAT055_ALERT_1_C Maximum Crystal Dimension Missing (or Error) ...     Please Check

Alert level G
PLAT005_ALERT_5_G No Embedded Refinement Details Found  in the CIF     Please Do ! 
PLAT073_ALERT_1_G H-atoms ref, but _hydrogen_treatment Reported as     constr Check 

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   3 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   2 ALERT level G = General information/check it is not something unexpected

   4 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

It is advisable to attempt to resolve as many as possible of the alerts in all categories. Often the minor alerts point to easily fixed oversights, errors and omissions in your CIF or refinement strategy, so attention to these fine details can be worthwhile. In order to resolve some of the more serious problems it may be necessary to carry out additional measurements or structure refinements. However, the purpose of your study may justify the reported deviations and the more serious of these should normally be commented upon in the discussion or experimental section of a paper or in the "special_details" fields of the CIF. checkCIF was carefully designed to identify outliers and unusual parameters, but every test has its limitations and alerts that are not important in a particular case may appear. Conversely, the absence of alerts does not guarantee there are no aspects of the results needing attention. It is up to the individual to critically assess their own results and, if necessary, seek expert advice.

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 or IUCrData, 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 13/12/2017; check.def file version of 12/12/2017
Datablock exp_4915 - ellipsoid plot

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