(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o230-o231 [ doi:10.1107/S1600536803001624 ]

Ethyl 5-ethoxymethylene-2-methyl-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carboxylate

H. Novoa de Armas, O. M. Peeters, N. M. Blaton, C. J. De Ranter, M. Suárez Navarro, Y. Verdecia Reyes, E. Ochoa Rodríguez and E. Salfrán

Online 31 January 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.067
wR factor = 0.219
Data-to-parameter ratio = 14.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



SHFSU_01  Alert B The absolute value of parameter shift to su ratio > 0.10      
          Absolute value of the parameter shift to su ratio given   0.110       
          Additional refinement cycles may be required.                         


 Alert Level C:



DIFMX_01  Alert C The maximum difference density is > 0.1*ZMAX*0.75             
          _refine_diff_density_max given =      0.620                           
          Test value =      0.600                                               

DIFMX_02  Alert C The minimum difference density is > 0.1*ZMAX*0.75             
          The relevant atom site should be identified.                          

RADNW_01  Alert C The radiation wavelength lies outside the expected range      
          for the supplied radiation type. Expected range 1.54175-1.54180       
          Wavelength given =    1.54184                                         

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           69.11                 
         From the CIF: _reflns_number_total               2962                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3172                           
         Completeness (_total/calc)             93.38%                          
          Alert C: < 95% complete                                               

WEIGH_01  Alert C Extra text has been found in the                              
          _refine_ls_weighting_scheme field. This should be in the              
          _refine_ls_weighting_details field.                                   
          Weighting scheme given as calc'                                       
          Weighting scheme identified as calc                                   

PLAT_360  Alert C Short  C(sp3)-C(sp3) Bond  C(33)  -   C(34)  =       1.41 Ang.


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 6 Alert Level C = Please check