(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o203-o205 [ doi:10.1107/S1600536803001119 ]

Phyllanthin from the plant Phyllanthus amarus

V. Rajakannan, M. S. Sripathi, S. Selvanayagam, D. Velmurugan, U. D. Murthy, M. Vishwas, S. P. Thyagarajan, S. Shanmuga Sundara Raj and H.-K. Fun

Online 24 January 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.066
wR factor = 0.181
Data-to-parameter ratio = 12.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           29.44                 
         From the CIF: _reflns_number_total               1651                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         1822                           
         Completeness (_total/calc)             90.61%                          
          Alert C: < 95% complete                                               

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           29.44                 
         From the CIF: _reflns_number_total               1651                  
         From the CIF: _diffrn_reflns_limit_ max hkl   26.    5.   13.          
         From the CIF: _diffrn_reflns_limit_ min hkl  -29.   -7.  -15.          
         TEST1: Expected hkl limits for theta max                               
         Calculated maximum hkl   31.    7.   15.                               
         Calculated minimum hkl  -31.   -7.  -15.                               
          ALERT: Expected hkl max differ from CIF values                        

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           29.44                 
         From the CIF: _reflns_number_total               1651                  
         Count of symmetry unique reflns         1822                           
         Completeness (_total/calc)             90.61%                          
         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