(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o428-o429 [ doi:10.1107/S160053680300494X ]

5,17-Bis(diphenylphosphinoyl)-25,26,27,28-tetrapropoxycalix[4]arene

C. Jeunesse, D. Matt, P. G. Jones and H. Thönnessen

Online 14 March 2003

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.002 Å
R factor = 0.034
wR factor = 0.085
Data-to-parameter ratio = 19.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.49                 
         From the CIF: _reflns_number_total               6225                  
         Count of symmetry unique reflns         3518                           
         Completeness (_total/calc)            176.95%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2707                           
         Fraction of Friedel pairs measured     0.769                           
         Are heavy atom types Z>Si present          yes                         
          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.