Acta Cryst. (2002). E58, o562-o564  [ doi:10.1107/S1600536802006992 ]

1,2,4,5,6,7,8,9-Octachlorotricyclo[5.2.1.0^2,6]deca-4,8-diene-3,10-diol

R. Gilardi, D. Tang and P. E. Eaton

Online 25 April 2002

Key indicators

• Single-crystal X-ray study
• T = 98 K
• Mean (C-C) = 0.002 Å
Disorder in main residue
• R factor = 0.026
• wR factor = 0.064
• Data-to-parameter ratio = 18.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



CELLV_02  Alert B The supplied cell volume s.u. differs from that               
          calculated from the cell parameter s.u.'s by > 4                      
          Calculated cell volume su =       7.01                                
          Cell volume su given      =      13.00                                

General Notes



FORMU_01  There is a discrepancy between the atom counts in the                 
          _chemical_formula_sum and the formula from the _atom_site* data.      
          Atom count from _chemical_formula_sum:C10 H4 Cl8 O2                   
          Atom count from the _atom_site data:  C10.115 H4.345 Cl7.885 O2.115   

CELLZ_01                                                                        
         From the CIF: _cell_formula_units_Z    4                               
         From the CIF: _chemical_formula_sum  C10 H4 Cl8 O2                     
         TEST: Compare cell contents of formula and atom_site data              
                                                                                
         atom    Z*formula  cif sites diff                                      
         C         40.00     40.46   -0.46                                      
         H         16.00     17.38   -1.38                                      
         Cl        32.00     31.54    0.46                                      
         O          8.00      8.46   -0.46                                      
          Difference between formula and atom_site contents detected.           
          ALERT: Large difference may be due to a                               
          symmetry error - see SYMMG tests                                      


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 0 Alert Level C = Please check

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