(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o487-o488 [ doi:10.1107/S1600536802005366 ]

5-Benzo[c]-1,5-naphthyridinium bromide

B. Marciniak, V. Pavlyuk and M. Deska

Online 5 April 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.025
wR factor = 0.111
Data-to-parameter ratio = 16.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.42                 
         From the CIF: _reflns_number_total               2240                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         2428                           
         Completeness (_total/calc)             92.26%                          
          Alert C: < 95% complete                                               

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.42                 
         From the CIF: _reflns_number_total               2240                  
         From the CIF: _diffrn_reflns_limit_ max hkl   11.   11.    6.          
         From the CIF: _diffrn_reflns_limit_ min hkl  -11.  -11.    0.          
         TEST1: Expected hkl limits for theta max                               
         Calculated maximum hkl   14.   12.    6.                               
         Calculated minimum hkl  -14.  -12.   -6.                               
          ALERT: Expected hkl max differ from CIF values                        


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check