(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o609-o611 [ doi:10.1107/S1600536802007584 ]

Bergenin monohydrate, a constituent of Hurmiria balsamifera, at 120 K

C. S. Caldas, C. A. De Simone, M. A. Pereira, V. R. S. Malta, R. L. P. Carvalho, T. B. C. Da Silva, A. E. G. Sant'ana and L. M. Conserva

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.004 Å
R factor = 0.037
wR factor = 0.129
Data-to-parameter ratio = 8.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.53                 
         From the CIF: _reflns_number_total               1943                  
         Count of symmetry unique reflns         1951                           
         Completeness (_total/calc)             99.59%                          
         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.