(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o129-o131 [ doi:10.1107/S160053680202370X ]

Diphenyl (3,3-diphenoxycyclohexyl)phosphonate

I. A. Guzei, R. Stockland and T. W. Tennis

Online 10 January 2003

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.010 Å
R factor = 0.069
wR factor = 0.165
Data-to-parameter ratio = 9.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



THETM_01  Alert C The value of sine(theta_max)/wavelength is less than 0.590    
          Calculated sin(theta_max)/wavelength =    0.5833                      

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.49                 
         From the CIF: _reflns_number_total               3050                  
         Count of symmetry unique reflns         2284                           
         Completeness (_total/calc)            133.54%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       766                           
         Fraction of Friedel pairs measured     0.335                           
         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