(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o666-o667 [ doi:10.1107/S1600536802008516 ]

1,2-Di-2-thienyl-2-hydroxyethanone (2,2'-thenoin)

G. Crundwell, T. Meskill, D. Sayers and K. Kantardjieff

Online 17 May 2002

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.007 Å
R factor = 0.048
wR factor = 0.172
Data-to-parameter ratio = 9.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



THETM_01  Alert A The value of sine(theta_max)/wavelength is less than 0.550    
          Calculated sin(theta_max)/wavelength =    0.5207

Author response: Data was collected on several samples and this was the best data set obtained for these small platelike crystals.


 Alert Level C:



REFNR_01  Alert C Ratio of reflections to parameters is < 10 for a              
          centrosymmetric structure                                             
          sine(theta)/lambda                0.5207                              
          Proportion of unique data used    1.0000                              
          Ratio reflections to parameters   9.3150                              


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check