(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o1392-o1394 [ doi:10.1107/S160053680202086X ]

A novel diterpene lactone

A. C. Doriguetto, H. S. Vieira, J. A. Ellena, J. A. Takahashi, M. A. D. Boaventura and Y. P. Mascarenhas

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
R factor = 0.038
wR factor = 0.122
Data-to-parameter ratio = 9.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.48                 
         From the CIF: _reflns_number_total               2074                  
         Count of symmetry unique reflns         2082                           
         Completeness (_total/calc)             99.62%                          
         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.