(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o138-o140 [ doi:10.1107/S1600536803000126 ]

1-(4-Methacryloyloxyphenyl)-3-(3-bromophenyl)prop-2-en-1-one

T. Ravishankar, K. Chinnakali, S. Nanjundan, S. Radhakrishnan, A. Usman and H.-K. Fun

Online 17 January 2003

Key indicators

Single-crystal X-ray study
T = 203 K
Mean (C-C) = 0.011 Å
R factor = 0.069
wR factor = 0.169
Data-to-parameter ratio = 16.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.129                                                    

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.26                 
         From the CIF: _reflns_number_total               3381                  
         Count of symmetry unique reflns         2057                           
         Completeness (_total/calc)            164.37%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1324                           
         Fraction of Friedel pairs measured     0.644                           
         Are heavy atom types Z>Si present          yes                         
          Please check that the estimate of the number of Friedel pairs is      
          correct. If it is not, please give the correct count in the           
          _publ_section_exptl_refinement section of the submitted CIF.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check