No syntax errors found.                               CIF dictionary
Please wait while processing ....                     Interpreting this report
Datablock: 2019ncsx0193
Bond precision: C-C = 0.0041 A Wavelength=1.54178
Cell: a=9.0349(3) b=25.4077(7) c=17.7142(4)
alpha=90 beta=97.260(3) gamma=90
Temperature: 100 K
Calculated Reported
Volume 4033.8(2) 4033.8(2)
Space group P 21/n P 1 21/n 1
Hall group -P 2yn -P 2yn
Moiety formula C26 H15 N3, H2 O C26 H15 N3, H2 O
Sum formula C26 H17 N3 O C26 H17 N3 O
Mr 387.43 387.42
Dx,g cm-3 1.276 1.276
Z 8 8
Mu (mm-1) 0.629 0.629
F000 1616.0 1616.0
F000' 1620.60
h,k,lmax 10,30,21 10,30,21
Nref 7396 7385
Tmin,Tmax 0.949,0.975 0.801,1.000
Tmin' 0.913
Correction method= # Reported T Limits: Tmin=0.801 Tmax=1.000 AbsCorr = GAUSSIAN
Data completeness= 0.999 Theta(max)= 68.241
R(reflections)= 0.0907( 6168) wR2(reflections)= 0.2459( 7385)
S = 1.162 Npar= 553 
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
DIFMX02_ALERT_1_C  The maximum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT097_ALERT_2_C Large Reported Max.  (Positive) Residual Density       0.67 eA-3  
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.00407 Ang.  
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......     12.263 Check 
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      2.343 Check 
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          8 Report
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  0.89Ang From O2      .       0.63 eA-3  

And 3 other PLAT975 Alerts

PLAT975_ALERT_2_C Check Calcd Resid. Dens.  0.87Ang From N6      .       0.63 eA-3  
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  0.94Ang From O2      .       0.53 eA-3  
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  0.94Ang From N2      .       0.44 eA-3  

Alert level G
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          4 Report
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT  Unusually Large       0.14 Report
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C6       - C7       .       1.43 Ang.  

And 7 other PLAT371 Alerts

PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C8       - C9       .       1.42 Ang.  
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C19      - C20      .       1.44 Ang.  
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C21      - C22      .       1.43 Ang.  
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C32      - C33      .       1.44 Ang.  
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C34      - C35      .       1.43 Ang.  
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C45      - C46      .       1.44 Ang.  
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C47      - C48      .       1.44 Ang.  

PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          4 Note  
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          1 Note  
PLAT933_ALERT_2_G Number of HKL-OMIT Records in Embedded .res File          3 Note  
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.         11 Info  

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  16 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   1 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 10/05/2023; check.def file version of 10/05/2023
Datablock 2019ncsx0193 - ellipsoid plot

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