(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o776-o779 [ doi:10.1107/S1600536803009656 ]

Redetermination of 8-tosyloxyquinoline at 100 K: supramolecular aggregation through weak C-HO and C-HN interactions

N. Vembu, M. Nallu, J. Garrison and W. J. Youngs

Online 9 May 2003

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R factor = 0.049
wR factor = 0.128
Data-to-parameter ratio = 12.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.00                 
         From the CIF: _reflns_number_total               3053                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3316                           
         Completeness (_total/calc)             92.07%                          
          Alert C: < 95% complete                                               


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check