No syntax errors found.                               CIF dictionary
Please wait while processing ....                     Interpreting this report
Datablock: s1_a
Bond precision: C-C = 0.0030 A Wavelength=0.71073
Cell: a=28.4271(16) b=7.2368(4) c=6.3705(4)
alpha=90 beta=97.766(2) gamma=90
Temperature: 100 K
Calculated Reported
Volume 1298.53(13) 1298.53(13)
Space group C 2/c C 1 2/c 1
Hall group -C 2yc -C 2yc
Moiety formula C17 H15 F O C17 H15 F O
Sum formula C17 H15 F O C17 H15 F O
Mr 254.29 254.29
Dx,g cm-3 1.301 1.301
Z 4 4
Mu (mm-1) 0.089 0.089
F000 536.0 536.0
F000' 536.27
h,k,lmax 41,10,9 41,10,9
Nref 2112 2105
Tmin,Tmax 0.973,0.996 0.684,0.746
Tmin' 0.968
Correction method= # Reported T Limits: Tmin=0.684 Tmax=0.746 AbsCorr = MULTI-SCAN
Data completeness= 0.997 Theta(max)= 31.245
R(reflections)= 0.0774( 1883) wR2(reflections)= 0.1941( 2105)
S = 1.210 Npar= 95 
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
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......     17.578 Check 
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      3.321 Check 
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          7 Report

Alert level G
PLAT019_ALERT_1_G _diffrn_measured_fraction_theta_full/*_max < 1.0      0.997 Report
PLAT128_ALERT_4_G Alternate Setting for Input Space Group     C2/c       I2/a Note  
PLAT171_ALERT_4_G The CIF-Embedded .res File Contains EADP Records          1 Report
PLAT300_ALERT_4_G Atom Site Occupancy of F1         Constrained at        0.5 Check 

And 5 other PLAT300 Alerts

PLAT300_ALERT_4_G Atom Site Occupancy of O1         Constrained at        0.5 Check 
PLAT300_ALERT_4_G Atom Site Occupancy of C9         Constrained at        0.5 Check 
PLAT300_ALERT_4_G Atom Site Occupancy of H9A        Constrained at        0.5 Check 
PLAT300_ALERT_4_G Atom Site Occupancy of H9B        Constrained at        0.5 Check 
PLAT300_ALERT_4_G Atom Site Occupancy of H9C        Constrained at        0.5 Check 

PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )        16% Note  
PLAT789_ALERT_4_G Atoms with Negative _atom_site_disorder_group  #          5 Check 
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          1 Note  
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          2 Note  
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          4 Note  
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          8 Info  

   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
  15 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion
   0 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 19/10/2018; check.def file version of 15/10/2018
Datablock s1_a - ellipsoid plot

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