(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o1161-o1163 [ doi:10.1107/S1600536802017142 ]

Cyclopropyl m-nitrophenyl ketone

V. M. Kolb, M. G. Donahue, E. A. Putnam, C. Y. Meyers and P. D. Robinson

Online 27 September 2002

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.004 Å
R factor = 0.040
wR factor = 0.105
Data-to-parameter ratio = 10.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



STRVAL_01                                                                       
         From the CIF: _refine_ls_abs_structure_Flack    1.000                  
         From the CIF: _refine_ls_abs_structure_Flack_su    3.000               
           Alert C Chirality of atom sites is inverted?                         

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.55                 
         From the CIF: _reflns_number_total               1296                  
         Count of symmetry unique reflns         1296                           
         Completeness (_total/calc)            100.00%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         Are heavy atom types Z>Si present           no                         
          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