(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o943-o944 [ doi:10.1107/S1600536801014866 ]

A BONBON 6-membered ring heterocycle

W. Kliegel, L. Preu, U. Riebe, B. O. Patrick, S. J. Rettig and J. Trotter

Online 20 September 2001

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.002 Å
R factor = 0.037
wR factor = 0.058
Data-to-parameter ratio = 15.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.89                 
         From the CIF: _reflns_number_total               2514                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         2733                           
         Completeness (_total/calc)             91.99%                          
          Alert C: < 95% complete                                               

PLAT_420  Alert C D-H Without Acceptor       N(1)   -   H(1)              ?


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check