Acta Cryst. (2003). E59, o145-o147  [ doi:10.1107/S1600536802023723 ]

An unsymmetrical tetrathiafulvalene with a fused 1,2,5-thiadiazole ring and an ethylenedioxy group

M. Tomura and Y. Yamashita

Online 17 January 2003

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.017 Å
• R factor = 0.063
• wR factor = 0.174
• Data-to-parameter ratio = 8.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_360  Alert C Short  C(sp3)-C(sp3) Bond  C(7)   -   C(8)   =       1.40 Ang.

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           74.15                 
         From the CIF: _reflns_number_total               1303                  
         Count of symmetry unique reflns         1302                           
         Completeness (_total/calc)            100.08%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         1                           
         Fraction of Friedel pairs measured     0.001                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check

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